7-(2,4-dimethylanilino)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C20H24N6OS — CID 166944381

IUPAC7-(2,4-dimethylanilino)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCc1ccc(Nc2ncnc3sc(C(=O)NC4CCN(C)CC4)nc23)c(C)c1
InChIInChI=1S/C20H24N6OS/c1-12-4-5-15(13(2)10-12)24-17-16-19(22-11-21-17)28-20(25-16)18(27)23-14-6-8-26(3)9-7-14/h4-5,10-11,14H,6-9H2,1-3H3,(H,23,27)(H,21,22,24)
InChIKeyUTIFFFVYVDRKPL-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.27
Rot. Bonds4

About 7-(2,4-dimethylanilino)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

7-(2,4-dimethylanilino)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 166944381) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 7-(2,4-dimethylanilino)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(2,4-dimethylanilino)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID166944381
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name7-(2,4-dimethylanilino)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCc1ccc(Nc2ncnc3sc(C(=O)NC4CCN(C)CC4)nc23)c(C)c1
InChIInChI=1S/C20H24N6OS/c1-12-4-5-15(13(2)10-12)24-17-16-19(22-11-21-17)28-20(25-16)18(27)23-14-6-8-26(3)9-7-14/h4-5,10-11,14H,6-9H2,1-3H3,(H,23,27)(H,21,22,24)
InChIKeyUTIFFFVYVDRKPL-UHFFFAOYSA-N
XLogP3.27
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-(2,4-dimethylanilino)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-5-(2,4-dimethylanilino)pyridine-2-carboxamide
CID 109179929
7-[4-methyl-2-(2-methylpropyl)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 166944230
N-cycloheptyl-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365497
N-cyclohexyl-6-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 1441232
N-heptan-4-yl-7-[4-methyl-2-(2-methylpropyl)anilino]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 166944097
4-[4-fluoro-2-[(3R)-oxan-3-yl]oxyanilino]-5-methyl-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 58413210
N-cyclopropyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109319930
N-cyclohexyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109322853
N-[(1-methylpiperidin-4-yl)methyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 166712221
3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 47114392
4-[(3,4-difluorobenzoyl)amino]-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 57434029
N-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide
CID 20854533

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dimethylanilino)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-(2,4-dimethylanilino)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 166944381) is 7-(2,4-dimethylanilino)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(2,4-dimethylanilino)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(2,4-dimethylanilino)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is Cc1ccc(Nc2ncnc3sc(C(=O)NC4CCN(C)CC4)nc23)c(C)c1.
What is the InChIKey of 7-(2,4-dimethylanilino)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is UTIFFFVYVDRKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-12-4-5-15(13(2)10-12)24-17-16-19(22-11-21-17)28-20(25-16)18(27)23-14-6-8-26(3)9-7-14/h4-5,10-11,14H,6-9H2,1-3H3,(H,23,27)(H,21,22,24).
What are the key properties of 7-(2,4-dimethylanilino)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
7-(2,4-dimethylanilino)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dimethylanilino)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 166944381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).