4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole

C13H11N3S — CID 141193696

IUPAC4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole
SMILESCc1ncsc1-c1ccc(-n2cccn2)cc1
InChIInChI=1S/C13H11N3S/c1-10-13(17-9-14-10)11-3-5-12(6-4-11)16-8-2-7-15-16/h2-9H,1H3
InChIKeyINTCCAFKFDLUEQ-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.30
Rot. Bonds2

About 4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole

4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole (PubChem CID 141193696) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole
PubChem CID141193696
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole
SMILESCc1ncsc1-c1ccc(-n2cccn2)cc1
InChIInChI=1S/C13H11N3S/c1-10-13(17-9-14-10)11-3-5-12(6-4-11)16-8-2-7-15-16/h2-9H,1H3
InChIKeyINTCCAFKFDLUEQ-UHFFFAOYSA-N
XLogP3.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 156851577
4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole-2-carboxamide
CID 68510393
[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride
CID 131801125
1-(4-bromophenyl)pyrazole
CID 10443564
1-[4-[(4-pyrazol-1-ylphenyl)disulfanyl]phenyl]pyrazole
CID 90924211
(1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride
CID 156873324
N,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 155154777
N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine
CID 153380249
3-(4-methyl-1,3-thiazol-5-yl)aniline
CID 165438455
ethyl-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]carbamic acid
CID 126602141
4-methyl-5-(4-prop-2-ynylphenyl)-1,3-thiazole;molecular hydrogen
CID 178063099
4-methyl-5-(2-phenylphenyl)-1,3-thiazole
CID 86231634

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole?
The IUPAC name of 4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole (CID 141193696) is 4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole is Cc1ncsc1-c1ccc(-n2cccn2)cc1.
What is the InChIKey of 4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole?
The InChIKey is INTCCAFKFDLUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-10-13(17-9-14-10)11-3-5-12(6-4-11)16-8-2-7-15-16/h2-9H,1H3.
What are the key properties of 4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole?
4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole has a molecular weight of 241.32 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole is sourced from PubChem (CID 141193696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).