1-(4-chloro-1,3-thiazol-2-yl)propan-2-one

C6H6ClNOS — CID 147334896

IUPAC1-(4-chloro-1,3-thiazol-2-yl)propan-2-one
SMILESCC(=O)Cc1nc(Cl)cs1
InChIInChI=1S/C6H6ClNOS/c1-4(9)2-6-8-5(7)3-10-6/h3H,2H2,1H3
InChIKeyDCJGPVYGTXSISF-UHFFFAOYSA-N
MW175.64 g/mol
LogP1.93
Rot. Bonds2

About 1-(4-chloro-1,3-thiazol-2-yl)propan-2-one

1-(4-chloro-1,3-thiazol-2-yl)propan-2-one (PubChem CID 147334896) has the molecular formula C6H6ClNOS and a molecular weight of 175.64 g/mol. Its IUPAC name is 1-(4-chloro-1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-chloro-1,3-thiazol-2-yl)propan-2-one
PubChem CID147334896
Molecular FormulaC6H6ClNOS
Molecular Weight175.64 g/mol
Exact Mass174.99
IUPAC Name1-(4-chloro-1,3-thiazol-2-yl)propan-2-one
SMILESCC(=O)Cc1nc(Cl)cs1
InChIInChI=1S/C6H6ClNOS/c1-4(9)2-6-8-5(7)3-10-6/h3H,2H2,1H3
InChIKeyDCJGPVYGTXSISF-UHFFFAOYSA-N
XLogP1.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.64
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one
CID 116966409
1-[4-[3-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one
CID 149198428
1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one
CID 153182995
1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966447
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966432
2-[(4-chloro-1,3-thiazol-2-yl)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 69261694
(2S)-1-[(4-chloro-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 154843998
1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217
CID 131842856
CID 131842856
1-[5-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propan-2-one
CID 148573988
1-[4-[2-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1,3-thiazol-4-yl]phenyl]propan-2-one
CID 147105479
1-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966426

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-(4-chloro-1,3-thiazol-2-yl)propan-2-one (CID 147334896) is 1-(4-chloro-1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(4-chloro-1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-(4-chloro-1,3-thiazol-2-yl)propan-2-one is CC(=O)Cc1nc(Cl)cs1.
What is the InChIKey of 1-(4-chloro-1,3-thiazol-2-yl)propan-2-one?
The InChIKey is DCJGPVYGTXSISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNOS/c1-4(9)2-6-8-5(7)3-10-6/h3H,2H2,1H3.
What are the key properties of 1-(4-chloro-1,3-thiazol-2-yl)propan-2-one?
1-(4-chloro-1,3-thiazol-2-yl)propan-2-one has a molecular weight of 175.64 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 147334896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).