5-[[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide

C19H19N5O3S2 — CID 2548636

IUPAC5-[[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide
SMILESCc1nc(SCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)c2c(C)c(C)sc2n1
InChIInChI=1S/C19H19N5O3S2/c1-8-9(2)29-19-15(8)18(22-10(3)23-19)28-7-14(25)24-13-5-11(16(20)26)4-12(6-13)17(21)27/h4-6H,7H2,1-3H3,(H2,20,26)(H2,21,27)(H,24,25)
InChIKeyPLSOPAWTQWKQOO-UHFFFAOYSA-N
MW429.53 g/mol
LogP2.55
Rot. Bonds6

About 5-[[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide

5-[[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide (PubChem CID 2548636) has the molecular formula C19H19N5O3S2 and a molecular weight of 429.53 g/mol. Its IUPAC name is 5-[[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide
PubChem CID2548636
Molecular FormulaC19H19N5O3S2
Molecular Weight429.53 g/mol
Exact Mass429.09
IUPAC Name5-[[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide
SMILESCc1nc(SCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)c2c(C)c(C)sc2n1
InChIInChI=1S/C19H19N5O3S2/c1-8-9(2)29-19-15(8)18(22-10(3)23-19)28-7-14(25)24-13-5-11(16(20)26)4-12(6-13)17(21)27/h4-6H,7H2,1-3H3,(H2,20,26)(H2,21,27)(H,24,25)
InChIKeyPLSOPAWTQWKQOO-UHFFFAOYSA-N
XLogP2.55
TPSA141.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide with MolForge

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Related Compounds

Thienopyrimidine deriv. 70
CID 6539978
6-(4-aminothieno[2,3-d]pyrimidin-5-yl)-N-phenylnaphthalene-1-carboxamide
CID 86302541
2,5-dimethyl-4-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 4137406
Thienopyrimidine deriv. 7
CID 6539969
N-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)benzamide
CID 25023775
2,5-dimethyl-4-piperidin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 4557525
[[[2-[3-[(4-Methylbenzoyl)amino]phenyl]thieno[2,3-d]pyrimidin-4-yl]amino]-phosphonomethyl]phosphonic acid
CID 135262452
[[[2-[3-(Phenylcarbamoyl)phenyl]thieno[2,3-d]pyrimidin-4-yl]amino]-phosphonomethyl]phosphonic acid
CID 153290133
Thienopyrimidine deriv. 64
CID 6539973
3-[2-(2-Isopropyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetylamino]-benzoic acid
CID 1468067
2-(4-Amino-6,6-dimethyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-N-o-tolyl-acetamide
CID 1970419
N-(4-fluorophenyl)-2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 3241369

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide?
The IUPAC name of 5-[[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide (CID 2548636) is 5-[[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-[[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide is Cc1nc(SCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)c2c(C)c(C)sc2n1.
What is the InChIKey of 5-[[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide?
The InChIKey is PLSOPAWTQWKQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S2/c1-8-9(2)29-19-15(8)18(22-10(3)23-19)28-7-14(25)24-13-5-11(16(20)26)4-12(6-13)17(21)27/h4-6H,7H2,1-3H3,(H2,20,26)(H2,21,27)(H,24,25).
What are the key properties of 5-[[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide?
5-[[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide has a molecular weight of 429.53 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide is sourced from PubChem (CID 2548636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).