7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C21H23N5O3S — CID 135390013

IUPAC7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESO=C(NC1CCOCC1)c1nc2c(N3CC(CCO)c4ccccc43)ncnc2s1
InChIInChI=1S/C21H23N5O3S/c27-8-5-13-11-26(16-4-2-1-3-15(13)16)18-17-20(23-12-22-18)30-21(25-17)19(28)24-14-6-9-29-10-7-14/h1-4,12-14,27H,5-11H2,(H,24,28)
InChIKeyYYMKYHGJQXGIDJ-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.61
Rot. Bonds5

About 7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 135390013) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is 7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID135390013
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC Name7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESO=C(NC1CCOCC1)c1nc2c(N3CC(CCO)c4ccccc43)ncnc2s1
InChIInChI=1S/C21H23N5O3S/c27-8-5-13-11-26(16-4-2-1-3-15(13)16)18-17-20(23-12-22-18)30-21(25-17)19(28)24-14-6-9-29-10-7-14/h1-4,12-14,27H,5-11H2,(H,24,28)
InChIKeyYYMKYHGJQXGIDJ-UHFFFAOYSA-N
XLogP2.61
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(dimethylamino)propyl]-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 135333935
7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 135334241
N-[3-(dimethylamino)propyl]-7-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 135390267
7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 135390569
7-(3,3-dimethyl-2H-indol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 145743795
2-(2-amino-6-methylsulfanylpurin-9-yl)-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]acetamide
CID 44246598
2-(ethylamino)-N-[(1S)-1-[3-[8-(ethylamino)-12-methyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-4-yl]phenyl]ethyl]acetamide
CID 53321173
2-acetamido-N-[(1S)-1-[3-[8-(ethylamino)-12-methyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-4-yl]phenyl]ethyl]acetamide
CID 53323840
7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 135389981
7-[5-fluoro-3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 135389986
N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 135389989
7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 135389990

Frequently Asked Questions

What is the IUPAC name of 7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 135390013) is 7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is O=C(NC1CCOCC1)c1nc2c(N3CC(CCO)c4ccccc43)ncnc2s1.
What is the InChIKey of 7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is YYMKYHGJQXGIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c27-8-5-13-11-26(16-4-2-1-3-15(13)16)18-17-20(23-12-22-18)30-21(25-17)19(28)24-14-6-9-29-10-7-14/h1-4,12-14,27H,5-11H2,(H,24,28).
What are the key properties of 7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 135390013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).