5-[(2,5-dimethylpyrazol-3-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

C14H16N6OS2 — CID 90788891

IUPAC5-[(2,5-dimethylpyrazol-3-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1csc(NC(=O)c2nc(C)sc2Nc2cc(C)nn2C)n1
InChIInChI=1S/C14H16N6OS2/c1-7-5-10(20(4)19-7)17-13-11(16-9(3)23-13)12(21)18-14-15-8(2)6-22-14/h5-6,17H,1-4H3,(H,15,18,21)
InChIKeyYYCDUZKFEFCIER-UHFFFAOYSA-N
MW348.46 g/mol
LogP3.25
Rot. Bonds4

About 5-[(2,5-dimethylpyrazol-3-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

5-[(2,5-dimethylpyrazol-3-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 90788891) has the molecular formula C14H16N6OS2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 5-[(2,5-dimethylpyrazol-3-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(2,5-dimethylpyrazol-3-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID90788891
Molecular FormulaC14H16N6OS2
Molecular Weight348.46 g/mol
Exact Mass348.08
IUPAC Name5-[(2,5-dimethylpyrazol-3-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1csc(NC(=O)c2nc(C)sc2Nc2cc(C)nn2C)n1
InChIInChI=1S/C14H16N6OS2/c1-7-5-10(20(4)19-7)17-13-11(16-9(3)23-13)12(21)18-14-15-8(2)6-22-14/h5-6,17H,1-4H3,(H,15,18,21)
InChIKeyYYCDUZKFEFCIER-UHFFFAOYSA-N
XLogP3.25
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylpyrazol-3-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[(2,5-dimethylpyrazol-3-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 90788891) is 5-[(2,5-dimethylpyrazol-3-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(2,5-dimethylpyrazol-3-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[(2,5-dimethylpyrazol-3-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is Cc1csc(NC(=O)c2nc(C)sc2Nc2cc(C)nn2C)n1.
What is the InChIKey of 5-[(2,5-dimethylpyrazol-3-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is YYCDUZKFEFCIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6OS2/c1-7-5-10(20(4)19-7)17-13-11(16-9(3)23-13)12(21)18-14-15-8(2)6-22-14/h5-6,17H,1-4H3,(H,15,18,21).
What are the key properties of 5-[(2,5-dimethylpyrazol-3-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
5-[(2,5-dimethylpyrazol-3-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 348.46 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylpyrazol-3-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90788891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).