2-cyclopropyl-4,5-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide

C20H18N4OS2 — CID 24659915

IUPAC2-cyclopropyl-4,5-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cccc2sc(NC(=O)c3sc4nc(C5CC5)nc(C)c4c3C)nc12
InChIInChI=1S/C20H18N4OS2/c1-9-5-4-6-13-15(9)22-20(26-13)24-18(25)16-10(2)14-11(3)21-17(12-7-8-12)23-19(14)27-16/h4-6,12H,7-8H2,1-3H3,(H,22,24,25)
InChIKeyIRLPUVWPMXNPLV-UHFFFAOYSA-N
MW394.53 g/mol
LogP5.36
Rot. Bonds3

About 2-cyclopropyl-4,5-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide

2-cyclopropyl-4,5-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24659915) has the molecular formula C20H18N4OS2 and a molecular weight of 394.53 g/mol. Its IUPAC name is 2-cyclopropyl-4,5-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-4,5-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID24659915
Molecular FormulaC20H18N4OS2
Molecular Weight394.53 g/mol
Exact Mass394.09
IUPAC Name2-cyclopropyl-4,5-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cccc2sc(NC(=O)c3sc4nc(C5CC5)nc(C)c4c3C)nc12
InChIInChI=1S/C20H18N4OS2/c1-9-5-4-6-13-15(9)22-20(26-13)24-18(25)16-10(2)14-11(3)21-17(12-7-8-12)23-19(14)27-16/h4-6,12H,7-8H2,1-3H3,(H,22,24,25)
InChIKeyIRLPUVWPMXNPLV-UHFFFAOYSA-N
XLogP5.36
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.53
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 23990174
2-cyclopropyl-N-(3-methoxyphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671862
2-cyclopropyl-4,5-dimethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 55537025
N-(3-chloro-4-methylphenyl)-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539056
2-cyclopropyl-4,5-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 43052063
2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 33283292
2-cyclopropyl-N-(6-methoxy-3-pyridinyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539036
2-cyclopropyl-4,5-dimethyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46635047
2-cyclopropyl-4,5-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46475614
2-cyclopropyl-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55825169
N-[3-(tert-butylsulfamoyl)phenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 33206224
2-cyclopropyl-4,5-dimethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 24665431

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4,5-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-cyclopropyl-4,5-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 24659915) is 2-cyclopropyl-4,5-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-cyclopropyl-4,5-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-cyclopropyl-4,5-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1cccc2sc(NC(=O)c3sc4nc(C5CC5)nc(C)c4c3C)nc12.
What is the InChIKey of 2-cyclopropyl-4,5-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is IRLPUVWPMXNPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS2/c1-9-5-4-6-13-15(9)22-20(26-13)24-18(25)16-10(2)14-11(3)21-17(12-7-8-12)23-19(14)27-16/h4-6,12H,7-8H2,1-3H3,(H,22,24,25).
What are the key properties of 2-cyclopropyl-4,5-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
2-cyclopropyl-4,5-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 394.53 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4,5-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24659915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).