2-phenyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide

C14H12N4OS — CID 47056582

IUPAC2-phenyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccn[nH]1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C14H12N4OS/c19-13(15-8-11-6-7-17-18-11)12-9-16-14(20-12)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,19)(H,17,18)
InChIKeyQIZUJLBRTONXRT-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.46
Rot. Bonds4

About 2-phenyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide

2-phenyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 47056582) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-phenyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID47056582
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name2-phenyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccn[nH]1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C14H12N4OS/c19-13(15-8-11-6-7-17-18-11)12-9-16-14(20-12)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,19)(H,17,18)
InChIKeyQIZUJLBRTONXRT-UHFFFAOYSA-N
XLogP2.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-phenyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide (CID 47056582) is 2-phenyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-phenyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-phenyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide is O=C(NCc1ccn[nH]1)c1cnc(-c2ccccc2)s1.
What is the InChIKey of 2-phenyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is QIZUJLBRTONXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c19-13(15-8-11-6-7-17-18-11)12-9-16-14(20-12)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,19)(H,17,18).
What are the key properties of 2-phenyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide?
2-phenyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47056582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).