N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide

C18H20N4OS — CID 56897241

IUPACN-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)N(C)Cc2csc(-c3ccccc3)n2)cn1
InChIInChI=1S/C18H20N4OS/c1-13(2)22-10-15(9-19-22)18(23)21(3)11-16-12-24-17(20-16)14-7-5-4-6-8-14/h4-10,12-13H,11H2,1-3H3
InChIKeyNWKHNPTYKFGAOT-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.86
Rot. Bonds5

About N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide

N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 56897241) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID56897241
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)N(C)Cc2csc(-c3ccccc3)n2)cn1
InChIInChI=1S/C18H20N4OS/c1-13(2)22-10-15(9-19-22)18(23)21(3)11-16-12-24-17(20-16)14-7-5-4-6-8-14/h4-10,12-13H,11H2,1-3H3
InChIKeyNWKHNPTYKFGAOT-UHFFFAOYSA-N
XLogP3.86
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 70782025
N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 56911908
N-methyl-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 56909680
N,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 56884558
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 35534129
N-methyl-2,4-dioxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-6-carboxamide
CID 56888778
N,1-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 56888348
1-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 17277663
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 36821843
3-[ethyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]butanoic acid
CID 62828179
2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid
CID 62637791
N-methyl-1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 70716625

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 56897241) is N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1cc(C(=O)N(C)Cc2csc(-c3ccccc3)n2)cn1.
What is the InChIKey of N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is NWKHNPTYKFGAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-13(2)22-10-15(9-19-22)18(23)21(3)11-16-12-24-17(20-16)14-7-5-4-6-8-14/h4-10,12-13H,11H2,1-3H3.
What are the key properties of N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 56897241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).