N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide

C14H13N5OS — CID 119105183

IUPACN-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCn1nccc1-c1cncc(CNC(=O)c2cscn2)c1
InChIInChI=1S/C14H13N5OS/c1-19-13(2-3-18-19)11-4-10(5-15-7-11)6-16-14(20)12-8-21-9-17-12/h2-5,7-9H,6H2,1H3,(H,16,20)
InChIKeyLACFABZMZPPLIB-UHFFFAOYSA-N
MW299.36 g/mol
LogP1.87
Rot. Bonds4

About N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide

N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 119105183) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID119105183
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC NameN-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCn1nccc1-c1cncc(CNC(=O)c2cscn2)c1
InChIInChI=1S/C14H13N5OS/c1-19-13(2-3-18-19)11-4-10(5-15-7-11)6-16-14(20)12-8-21-9-17-12/h2-5,7-9H,6H2,1H3,(H,16,20)
InChIKeyLACFABZMZPPLIB-UHFFFAOYSA-N
XLogP1.87
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide (CID 119105183) is N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide is Cn1nccc1-c1cncc(CNC(=O)c2cscn2)c1.
What is the InChIKey of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LACFABZMZPPLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-19-13(2-3-18-19)11-4-10(5-15-7-11)6-16-14(20)12-8-21-9-17-12/h2-5,7-9H,6H2,1H3,(H,16,20).
What are the key properties of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide?
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119105183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).