2-methyl-4-propan-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide

C16H16N4OS2 — CID 75489730

IUPAC2-methyl-4-propan-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)c(C(=O)Nc2nc(-c3ccncc3)cs2)s1
InChIInChI=1S/C16H16N4OS2/c1-9(2)13-14(23-10(3)18-13)15(21)20-16-19-12(8-22-16)11-4-6-17-7-5-11/h4-9H,1-3H3,(H,19,20,21)
InChIKeyPUXZATVLAXWWRK-UHFFFAOYSA-N
MW344.47 g/mol
LogP4.35
Rot. Bonds4

About 2-methyl-4-propan-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide

2-methyl-4-propan-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 75489730) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-4-propan-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID75489730
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC Name2-methyl-4-propan-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)c(C(=O)Nc2nc(-c3ccncc3)cs2)s1
InChIInChI=1S/C16H16N4OS2/c1-9(2)13-14(23-10(3)18-13)15(21)20-16-19-12(8-22-16)11-4-6-17-7-5-11/h4-9H,1-3H3,(H,19,20,21)
InChIKeyPUXZATVLAXWWRK-UHFFFAOYSA-N
XLogP4.35
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-propan-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-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-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide
CID 75489540
2,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 16644283
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 896408
2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 4800922
ethyl 2-[(2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 75357207
4-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 16875244
2,5-dimethyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 16952767
N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 110443762
4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 22581409
3,5-dichloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 5159271
2,3,4,5,6-pentafluoro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4060927
3-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 18587106

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-4-propan-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (CID 75489730) is 2-methyl-4-propan-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-4-propan-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-4-propan-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)c(C(=O)Nc2nc(-c3ccncc3)cs2)s1.
What is the InChIKey of 2-methyl-4-propan-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is PUXZATVLAXWWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-9(2)13-14(23-10(3)18-13)15(21)20-16-19-12(8-22-16)11-4-6-17-7-5-11/h4-9H,1-3H3,(H,19,20,21).
What are the key properties of 2-methyl-4-propan-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
2-methyl-4-propan-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 344.47 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75489730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).