2-butyl-N-(5-chloro-2-pyrazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C18H19ClN4OS — CID 55807359

IUPAC2-butyl-N-(5-chloro-2-pyrazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCc1nc(C)c(C(=O)Nc2cc(Cl)ccc2-n2cccn2)s1
InChIInChI=1S/C18H19ClN4OS/c1-3-4-6-16-21-12(2)17(25-16)18(24)22-14-11-13(19)7-8-15(14)23-10-5-9-20-23/h5,7-11H,3-4,6H2,1-2H3,(H,22,24)
InChIKeyJTDWQVVCGALDRP-UHFFFAOYSA-N
MW374.90 g/mol
LogP4.89
Rot. Bonds6

About 2-butyl-N-(5-chloro-2-pyrazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

2-butyl-N-(5-chloro-2-pyrazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 55807359) has the molecular formula C18H19ClN4OS and a molecular weight of 374.90 g/mol. Its IUPAC name is 2-butyl-N-(5-chloro-2-pyrazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-N-(5-chloro-2-pyrazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID55807359
Molecular FormulaC18H19ClN4OS
Molecular Weight374.90 g/mol
Exact Mass374.10
IUPAC Name2-butyl-N-(5-chloro-2-pyrazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCc1nc(C)c(C(=O)Nc2cc(Cl)ccc2-n2cccn2)s1
InChIInChI=1S/C18H19ClN4OS/c1-3-4-6-16-21-12(2)17(25-16)18(24)22-14-11-13(19)7-8-15(14)23-10-5-9-20-23/h5,7-11H,3-4,6H2,1-2H3,(H,22,24)
InChIKeyJTDWQVVCGALDRP-UHFFFAOYSA-N
XLogP4.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.90
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 55687015
3-bromo-N-(5-chloro-2-pyrazol-1-ylphenyl)thiophene-2-carboxamide
CID 60793172
ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
CID 61062622
2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide
CID 60927429
N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
CID 60927204
3-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide
CID 64523056
N-(5-chloro-2-pyrazol-1-ylphenyl)-6-methyl-1H-indole-2-carboxamide
CID 55993679
N-[5-chloro-2-(dimethylamino)phenyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 131923297
N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62852915
methyl 3-[(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybenzoate
CID 56543406
N-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide
CID 103515148
2-butyl-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55688150

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(5-chloro-2-pyrazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-butyl-N-(5-chloro-2-pyrazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 55807359) is 2-butyl-N-(5-chloro-2-pyrazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-butyl-N-(5-chloro-2-pyrazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-butyl-N-(5-chloro-2-pyrazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is CCCCc1nc(C)c(C(=O)Nc2cc(Cl)ccc2-n2cccn2)s1.
What is the InChIKey of 2-butyl-N-(5-chloro-2-pyrazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is JTDWQVVCGALDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4OS/c1-3-4-6-16-21-12(2)17(25-16)18(24)22-14-11-13(19)7-8-15(14)23-10-5-9-20-23/h5,7-11H,3-4,6H2,1-2H3,(H,22,24).
What are the key properties of 2-butyl-N-(5-chloro-2-pyrazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-butyl-N-(5-chloro-2-pyrazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 374.90 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(5-chloro-2-pyrazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55807359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).