N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-(7H-pyrrolo[3,4-b]pyridin-3-ylamino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C32H37N13O6S3 — CID 161195041

IUPACN-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-(7H-pyrrolo[3,4-b]pyridin-3-ylamino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCN(C)C(=O)CCN(C)C(=O)c1nc2c(Nc3cnc4c(c3)C=NC4)ncnc2s1.CN(C)C(=O)CCN(C)C(=O)c1nc2c(S(C)(=O)=O)ncnc2s1
InChIInChI=1S/C19H20N8O2S.C13H17N5O4S2/c1-26(2)14(28)4-5-27(3)19(29)18-25-15-16(22-10-23-17(15)30-18)24-12-6-11-7-20-9-13(11)21-8-12;1-17(2)8(19)5-6-18(3)13(20)11-16-9-10(23-11)14-7-15-12(9)24(4,21)22/h6-8,10H,4-5,9H2,1-3H3,(H,22,23,24);7H,5-6H2,1-4H3
InChIKeyUUFONHHNEDELPS-UHFFFAOYSA-N
MW795.93 g/mol
LogP1.75
Rot. Bonds11

About N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-(7H-pyrrolo[3,4-b]pyridin-3-ylamino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-(7H-pyrrolo[3,4-b]pyridin-3-ylamino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 161195041) has the molecular formula C32H37N13O6S3 and a molecular weight of 795.93 g/mol. Its IUPAC name is N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-(7H-pyrrolo[3,4-b]pyridin-3-ylamino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-(7H-pyrrolo[3,4-b]pyridin-3-ylamino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID161195041
Molecular FormulaC32H37N13O6S3
Molecular Weight795.93 g/mol
Exact Mass795.22
IUPAC NameN-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-(7H-pyrrolo[3,4-b]pyridin-3-ylamino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCN(C)C(=O)CCN(C)C(=O)c1nc2c(Nc3cnc4c(c3)C=NC4)ncnc2s1.CN(C)C(=O)CCN(C)C(=O)c1nc2c(S(C)(=O)=O)ncnc2s1
InChIInChI=1S/C19H20N8O2S.C13H17N5O4S2/c1-26(2)14(28)4-5-27(3)19(29)18-25-15-16(22-10-23-17(15)30-18)24-12-6-11-7-20-9-13(11)21-8-12;1-17(2)8(19)5-6-18(3)13(20)11-16-9-10(23-11)14-7-15-12(9)24(4,21)22/h6-8,10H,4-5,9H2,1-3H3,(H,22,23,24);7H,5-6H2,1-4H3
InChIKeyUUFONHHNEDELPS-UHFFFAOYSA-N
XLogP1.75
TPSA230.00 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.93
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-(7H-pyrrolo[3,4-b]pyridin-3-ylamino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide with MolForge

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Related Compounds

7-(4-amino-5-methanimidoyl-2-propan-2-yloxyanilino)-N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 144695769
(7-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-piperidin-1-ylmethanone;6-[[2-(piperidine-1-carbonyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]amino]-3H-1-benzothiophen-2-one
CID 157072591
ethyl (7S)-4-chloro-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxylate;ethyl (7S)-4-(7H-pyrrolo[3,4-b]pyridin-3-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxylate
CID 159366145
ethyl 4-[7-(1H-isoindol-5-ylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]butanoate;4-[7-(1H-isoindol-5-ylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]butanoic acid
CID 158521338
[(3S)-3-methylmorpholin-4-yl]-[(7S)-4-(7H-pyrrolo[3,4-b]pyridin-3-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]methanone
CID 160924959
N,N-dimethyl-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 90390334
N-[3-(dimethylamino)-3-oxopropyl]-4-[(4-methoxy-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-yl)amino]-N-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 123968613
ethyl (7S)-4-(1H-isoindol-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxylate
CID 157118670
(7S)-4-[(2-methoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)amino]-N-methyl-N-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide;(7S)-4-[(2-methoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxylic acid
CID 158162880
N,N-dimethyl-2-[4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)pyrazol-1-yl]acetamide
CID 133276060
N-[3-(dimethylamino)propyl]-7-(2-propan-2-yloxyanilino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 135333745
[(7S)-4-(1H-isoindol-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]-(4-methylpiperazin-1-yl)methanone
CID 159903018

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-(7H-pyrrolo[3,4-b]pyridin-3-ylamino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-(7H-pyrrolo[3,4-b]pyridin-3-ylamino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 161195041) is N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-(7H-pyrrolo[3,4-b]pyridin-3-ylamino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-(7H-pyrrolo[3,4-b]pyridin-3-ylamino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-(7H-pyrrolo[3,4-b]pyridin-3-ylamino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CN(C)C(=O)CCN(C)C(=O)c1nc2c(Nc3cnc4c(c3)C=NC4)ncnc2s1.CN(C)C(=O)CCN(C)C(=O)c1nc2c(S(C)(=O)=O)ncnc2s1.
What is the InChIKey of N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-(7H-pyrrolo[3,4-b]pyridin-3-ylamino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is UUFONHHNEDELPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O2S.C13H17N5O4S2/c1-26(2)14(28)4-5-27(3)19(29)18-25-15-16(22-10-23-17(15)30-18)24-12-6-11-7-20-9-13(11)21-8-12;1-17(2)8(19)5-6-18(3)13(20)11-16-9-10(23-11)14-7-15-12(9)24(4,21)22/h6-8,10H,4-5,9H2,1-3H3,(H,22,23,24);7H,5-6H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-(7H-pyrrolo[3,4-b]pyridin-3-ylamino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-(7H-pyrrolo[3,4-b]pyridin-3-ylamino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 795.93 g/mol, XLogP of 1.75, 11 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[3-(dimethylamino)-3-oxopropyl]-N-methyl-7-(7H-pyrrolo[3,4-b]pyridin-3-ylamino)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 161195041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).