1-(1,3-dimethylpyrazol-4-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone

C16H15N3OS — CID 102802826

IUPAC1-(1,3-dimethylpyrazol-4-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
SMILESCc1nn(C)cc1C(=O)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H15N3OS/c1-11-13(9-19(2)18-11)15(20)8-16-17-14(10-21-16)12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3
InChIKeyYPRMJNQJBBLJSA-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.28
Rot. Bonds4

About 1-(1,3-dimethylpyrazol-4-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone

1-(1,3-dimethylpyrazol-4-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone (PubChem CID 102802826) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
PubChem CID102802826
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
SMILESCc1nn(C)cc1C(=O)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H15N3OS/c1-11-13(9-19(2)18-11)15(20)8-16-17-14(10-21-16)12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3
InChIKeyYPRMJNQJBBLJSA-UHFFFAOYSA-N
XLogP3.28
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 149292055
2-(4-phenyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanone
CID 102923178
1-(1,3-dimethylpyrazol-4-yl)-2-thiophen-2-ylethanone
CID 102802696
2-(4-phenyl-1,3-thiazol-2-yl)-1-(thiadiazol-4-yl)ethanone
CID 105113691
1-tert-butylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-one
CID 79819644
2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone
CID 112731528
1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 115781573
4-(4-phenyl-1,3-thiazol-2-yl)butan-2-one
CID 82115866
3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-one
CID 116554751
N-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8963676
1-(2-chloro-4-pyridinyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 112731541
2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone (CID 102802826) is 1-(1,3-dimethylpyrazol-4-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone is Cc1nn(C)cc1C(=O)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is YPRMJNQJBBLJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-13(9-19(2)18-11)15(20)8-16-17-14(10-21-16)12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone?
1-(1,3-dimethylpyrazol-4-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 297.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 102802826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).