N-(1,5-dimethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide

C14H13N5OS — CID 166217040

IUPACN-(1,5-dimethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCc1c(NC(=O)c2cnc(-c3ccncc3)s2)cnn1C
InChIInChI=1S/C14H13N5OS/c1-9-11(7-17-19(9)2)18-13(20)12-8-16-14(21-12)10-3-5-15-6-4-10/h3-8H,1-2H3,(H,18,20)
InChIKeyBUHSPLRXLHELPM-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.50
Rot. Bonds3

About N-(1,5-dimethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide

N-(1,5-dimethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 166217040) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID166217040
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCc1c(NC(=O)c2cnc(-c3ccncc3)s2)cnn1C
InChIInChI=1S/C14H13N5OS/c1-9-11(7-17-19(9)2)18-13(20)12-8-16-14(21-12)10-3-5-15-6-4-10/h3-8H,1-2H3,(H,18,20)
InChIKeyBUHSPLRXLHELPM-UHFFFAOYSA-N
XLogP2.50
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (CID 166217040) is N-(1,5-dimethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is Cc1c(NC(=O)c2cnc(-c3ccncc3)s2)cnn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is BUHSPLRXLHELPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-9-11(7-17-19(9)2)18-13(20)12-8-16-14(21-12)10-3-5-15-6-4-10/h3-8H,1-2H3,(H,18,20).
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
N-(1,5-dimethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166217040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).