2-[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]acetonitrile

C15H12N4S — CID 139235210

IUPAC2-[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]acetonitrile
SMILESCc1c(-c2csc(CC#N)n2)cnn1-c1ccccc1
InChIInChI=1S/C15H12N4S/c1-11-13(14-10-20-15(18-14)7-8-16)9-17-19(11)12-5-3-2-4-6-12/h2-6,9-10H,7H2,1H3
InChIKeySCZREYYMLHODPX-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.37
Rot. Bonds3

About 2-[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]acetonitrile

2-[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]acetonitrile (PubChem CID 139235210) has the molecular formula C15H12N4S and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]acetonitrile
PubChem CID139235210
Molecular FormulaC15H12N4S
Molecular Weight280.36 g/mol
Exact Mass280.08
IUPAC Name2-[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]acetonitrile
SMILESCc1c(-c2csc(CC#N)n2)cnn1-c1ccccc1
InChIInChI=1S/C15H12N4S/c1-11-13(14-10-20-15(18-14)7-8-16)9-17-19(11)12-5-3-2-4-6-12/h2-6,9-10H,7H2,1H3
InChIKeySCZREYYMLHODPX-UHFFFAOYSA-N
XLogP3.37
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetonitrile
CID 24708724
4-[[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]phenol
CID 58910928
N-(1H-indazol-4-yl)-4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 58911051
N-ethyl-4-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1,3-thiazol-2-amine
CID 82528750
2-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 82300637
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 24703190
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]acetonitrile
CID 82967172
2-[4-(4-ethoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 82300635
2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine
CID 82106390
5-methyl-1-phenyl-4-(1H-pyrazol-5-yl)pyrazole
CID 614156
4-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine
CID 82528304
2-[4-(1,2-dimethylbenzimidazol-5-yl)-1,3-thiazol-2-yl]acetonitrile
CID 116966293

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]acetonitrile?
The IUPAC name of 2-[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]acetonitrile (CID 139235210) is 2-[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]acetonitrile?
The canonical SMILES for 2-[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]acetonitrile is Cc1c(-c2csc(CC#N)n2)cnn1-c1ccccc1.
What is the InChIKey of 2-[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]acetonitrile?
The InChIKey is SCZREYYMLHODPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4S/c1-11-13(14-10-20-15(18-14)7-8-16)9-17-19(11)12-5-3-2-4-6-12/h2-6,9-10H,7H2,1H3.
What are the key properties of 2-[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]acetonitrile?
2-[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]acetonitrile has a molecular weight of 280.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]acetonitrile is sourced from PubChem (CID 139235210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).