N,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide

C16H16N4OS — CID 70770264

IUPACN,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H16N4OS/c1-12-15(22-11-17-12)16(21)19(2)10-13-4-6-14(7-5-13)20-9-3-8-18-20/h3-9,11H,10H2,1-2H3
InChIKeyGNUGFRZCOUTFGR-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.91
Rot. Bonds4

About N,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide

N,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 70770264) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID70770264
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H16N4OS/c1-12-15(22-11-17-12)16(21)19(2)10-13-4-6-14(7-5-13)20-9-3-8-18-20/h3-9,11H,10H2,1-2H3
InChIKeyGNUGFRZCOUTFGR-UHFFFAOYSA-N
XLogP2.91
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide (CID 70770264) is N,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(C)Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of N,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is GNUGFRZCOUTFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-12-15(22-11-17-12)16(21)19(2)10-13-4-6-14(7-5-13)20-9-3-8-18-20/h3-9,11H,10H2,1-2H3.
What are the key properties of N,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
N,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 70770264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).