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

C16H11ClN2OS — CID 112731541

IUPAC1-(2-chloro-4-pyridinyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nc(-c2ccccc2)cs1)c1ccnc(Cl)c1
InChIInChI=1S/C16H11ClN2OS/c17-15-8-12(6-7-18-15)14(20)9-16-19-13(10-21-16)11-4-2-1-3-5-11/h1-8,10H,9H2
InChIKeyBWARCAMGHPOHLP-UHFFFAOYSA-N
MW314.80 g/mol
LogP4.28
Rot. Bonds4

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

1-(2-chloro-4-pyridinyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone (PubChem CID 112731541) has the molecular formula C16H11ClN2OS and a molecular weight of 314.80 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
PubChem CID112731541
Molecular FormulaC16H11ClN2OS
Molecular Weight314.80 g/mol
Exact Mass314.03
IUPAC Name1-(2-chloro-4-pyridinyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nc(-c2ccccc2)cs1)c1ccnc(Cl)c1
InChIInChI=1S/C16H11ClN2OS/c17-15-8-12(6-7-18-15)14(20)9-16-19-13(10-21-16)11-4-2-1-3-5-11/h1-8,10H,9H2
InChIKeyBWARCAMGHPOHLP-UHFFFAOYSA-N
XLogP4.28
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone
CID 112731528
2-(4-phenyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanone
CID 102923178
2-(4-phenyl-1,3-thiazol-2-yl)-1-(thiadiazol-4-yl)ethanone
CID 105113691
1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 115781573
3-[4-[2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetyl]phenyl]prop-2-ynoic acid
CID 59160805
1-(1,3-dimethylpyrazol-4-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 102802826
2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012
1-[4-[2-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1,3-thiazol-4-yl]phenyl]propan-2-one
CID 147105479
1-(4-aminophenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone
CID 82067010
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881280
2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4566516
5-chloro-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79826170

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(2-chloro-4-pyridinyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone (CID 112731541) is 1-(2-chloro-4-pyridinyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone is O=C(Cc1nc(-c2ccccc2)cs1)c1ccnc(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is BWARCAMGHPOHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2OS/c17-15-8-12(6-7-18-15)14(20)9-16-19-13(10-21-16)11-4-2-1-3-5-11/h1-8,10H,9H2.
What are the key properties of 1-(2-chloro-4-pyridinyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone?
1-(2-chloro-4-pyridinyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 314.80 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 112731541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).