2-[[2-(dimethylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide

C12H13N5O2S — CID 78874057

IUPAC2-[[2-(dimethylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESCN(C)c1ncccc1C(=O)Nc1ncc(C(N)=O)s1
InChIInChI=1S/C12H13N5O2S/c1-17(2)10-7(4-3-5-14-10)11(19)16-12-15-6-8(20-12)9(13)18/h3-6H,1-2H3,(H2,13,18)(H,15,16,19)
InChIKeyBGDWONKHYNAXLT-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.96
Rot. Bonds4

About 2-[[2-(dimethylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide

2-[[2-(dimethylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 78874057) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[2-(dimethylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID78874057
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC Name2-[[2-(dimethylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESCN(C)c1ncccc1C(=O)Nc1ncc(C(N)=O)s1
InChIInChI=1S/C12H13N5O2S/c1-17(2)10-7(4-3-5-14-10)11(19)16-12-15-6-8(20-12)9(13)18/h3-6H,1-2H3,(H2,13,18)(H,15,16,19)
InChIKeyBGDWONKHYNAXLT-UHFFFAOYSA-N
XLogP0.96
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(dimethylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-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

2-(pyridine-2-carbonylamino)-1,3-thiazole-5-carboxamide
CID 22262890
2-(dimethylamino)-N-phenylpyridine-3-carboxamide
CID 38885522
2-[[2-(3-bromophenoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 78884843
2-(dimethylamino)-N-(5-octyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 60553366
N-(3,4-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38898343
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 110299276
N-(3,5-dichlorophenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38887368
2-(dimethylamino)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 38905414
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(dimethylamino)pyridine-3-carboxamide
CID 48998095
2-(dimethylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 38885784
2-(dimethylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 38886044
ethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 57394846

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[2-(dimethylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide (CID 78874057) is 2-[[2-(dimethylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[2-(dimethylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[2-(dimethylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide is CN(C)c1ncccc1C(=O)Nc1ncc(C(N)=O)s1.
What is the InChIKey of 2-[[2-(dimethylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is BGDWONKHYNAXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c1-17(2)10-7(4-3-5-14-10)11(19)16-12-15-6-8(20-12)9(13)18/h3-6H,1-2H3,(H2,13,18)(H,15,16,19).
What are the key properties of 2-[[2-(dimethylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide?
2-[[2-(dimethylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 291.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78874057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).