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

C26H20N4OS2 — CID 71488056

IUPAC4-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenyl-N-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)N(c1ccccn1)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C26H20N4OS2/c1-17-22(32-23(28-17)19-11-5-3-6-12-19)25(31)30(21-15-9-10-16-27-21)26-18(2)29-24(33-26)20-13-7-4-8-14-20/h3-16H,1-2H3
InChIKeyRJSWJOCACKUQFL-UHFFFAOYSA-N
MW468.61 g/mol
LogP6.92
Rot. Bonds5

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

4-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenyl-N-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 71488056) has the molecular formula C26H20N4OS2 and a molecular weight of 468.61 g/mol. Its IUPAC name is 4-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenyl-N-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenyl-N-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID71488056
Molecular FormulaC26H20N4OS2
Molecular Weight468.61 g/mol
Exact Mass468.11
IUPAC Name4-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenyl-N-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)N(c1ccccn1)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C26H20N4OS2/c1-17-22(32-23(28-17)19-11-5-3-6-12-19)25(31)30(21-15-9-10-16-27-21)26-18(2)29-24(33-26)20-13-7-4-8-14-20/h3-16H,1-2H3
InChIKeyRJSWJOCACKUQFL-UHFFFAOYSA-N
XLogP6.92
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.61
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 4319506
N-ethyl-N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 134058026
N,4-dimethyl-2-pyridin-3-yl-N-[(1R)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide
CID 90125514
2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
CID 14318557
N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080833
N,4-dimethyl-2-phenyl-N-(3-phenylpropyl)-1,3-thiazole-5-carboxamide
CID 55710205
methanidyl-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)azanium
CID 59280512
3-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
CID 172677917
N,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 97315027
4-methyl-2-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 75490366
4-methyl-2-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 41164239
4-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 70814440

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenyl-N-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenyl-N-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 71488056) is 4-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenyl-N-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenyl-N-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenyl-N-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)N(c1ccccn1)c1sc(-c2ccccc2)nc1C.
What is the InChIKey of 4-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenyl-N-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is RJSWJOCACKUQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4OS2/c1-17-22(32-23(28-17)19-11-5-3-6-12-19)25(31)30(21-15-9-10-16-27-21)26-18(2)29-24(33-26)20-13-7-4-8-14-20/h3-16H,1-2H3.
What are the key properties of 4-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenyl-N-pyridin-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenyl-N-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 468.61 g/mol, XLogP of 6.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenyl-N-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71488056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).