1-benzyl-5-chloro-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide

C21H18ClN5OS — CID 176859819

IUPAC1-benzyl-5-chloro-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
SMILESCc1cc(C)nc(-c2csc(NC(=O)c3cnn(Cc4ccccc4)c3Cl)n2)c1
InChIInChI=1S/C21H18ClN5OS/c1-13-8-14(2)24-17(9-13)18-12-29-21(25-18)26-20(28)16-10-23-27(19(16)22)11-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,25,26,28)
InChIKeySEXDBVNPAZHOKZ-UHFFFAOYSA-N
MW423.93 g/mol
LogP4.97
Rot. Bonds5

About 1-benzyl-5-chloro-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide

1-benzyl-5-chloro-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide (PubChem CID 176859819) has the molecular formula C21H18ClN5OS and a molecular weight of 423.93 g/mol. Its IUPAC name is 1-benzyl-5-chloro-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-chloro-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
PubChem CID176859819
Molecular FormulaC21H18ClN5OS
Molecular Weight423.93 g/mol
Exact Mass423.09
IUPAC Name1-benzyl-5-chloro-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
SMILESCc1cc(C)nc(-c2csc(NC(=O)c3cnn(Cc4ccccc4)c3Cl)n2)c1
InChIInChI=1S/C21H18ClN5OS/c1-13-8-14(2)24-17(9-13)18-12-29-21(25-18)26-20(28)16-10-23-27(19(16)22)11-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,25,26,28)
InChIKeySEXDBVNPAZHOKZ-UHFFFAOYSA-N
XLogP4.97
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.93
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-5-chloro-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide with MolForge

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Related Compounds

1-benzyl-5-chloro-N-[4-(6-prop-1-ynyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 176859448
1-benzyl-5-chloro-N-[4-(1,7-naphthyridin-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 176859066
1-benzyl-5-chloro-3-methyl-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 176858961
N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide
CID 176858949
N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 176859928
1-benzyl-5-chloro-N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide
CID 176858676
N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(2-fluorophenyl)methyl]-2-oxopyridine-4-carboxamide
CID 176858764
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzyl-5-methylpyrazole-3-carboxamide
CID 118715031
1-[(3,4-difluorophenyl)methyl]-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide
CID 176859131
N-[4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-2-phenoxybenzamide
CID 2451829
3-benzyl-4-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]phthalazine-1-carboxamide
CID 3917433
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-chloro-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide (CID 176859819) is 1-benzyl-5-chloro-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-chloro-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-chloro-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide is Cc1cc(C)nc(-c2csc(NC(=O)c3cnn(Cc4ccccc4)c3Cl)n2)c1.
What is the InChIKey of 1-benzyl-5-chloro-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The InChIKey is SEXDBVNPAZHOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5OS/c1-13-8-14(2)24-17(9-13)18-12-29-21(25-18)26-20(28)16-10-23-27(19(16)22)11-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,25,26,28).
What are the key properties of 1-benzyl-5-chloro-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
1-benzyl-5-chloro-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide has a molecular weight of 423.93 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 176859819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).