1-(2-chloro-1,3-thiazol-5-yl)-2-methylpropan-1-one

C7H8ClNOS — CID 170758080

IUPAC1-(2-chloro-1,3-thiazol-5-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cnc(Cl)s1
InChIInChI=1S/C7H8ClNOS/c1-4(2)6(10)5-3-9-7(8)11-5/h3-4H,1-2H3
InChIKeyVLHVFMQDQPMLGZ-UHFFFAOYSA-N
MW189.67 g/mol
LogP2.64
Rot. Bonds2

About 1-(2-chloro-1,3-thiazol-5-yl)-2-methylpropan-1-one

1-(2-chloro-1,3-thiazol-5-yl)-2-methylpropan-1-one (PubChem CID 170758080) has the molecular formula C7H8ClNOS and a molecular weight of 189.67 g/mol. Its IUPAC name is 1-(2-chloro-1,3-thiazol-5-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-chloro-1,3-thiazol-5-yl)-2-methylpropan-1-one
PubChem CID170758080
Molecular FormulaC7H8ClNOS
Molecular Weight189.67 g/mol
Exact Mass189.00
IUPAC Name1-(2-chloro-1,3-thiazol-5-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cnc(Cl)s1
InChIInChI=1S/C7H8ClNOS/c1-4(2)6(10)5-3-9-7(8)11-5/h3-4H,1-2H3
InChIKeyVLHVFMQDQPMLGZ-UHFFFAOYSA-N
XLogP2.64
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-1,3-thiazol-5-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(2-chloro-1,3-thiazol-5-yl)-2-methylpropan-1-one (CID 170758080) is 1-(2-chloro-1,3-thiazol-5-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-chloro-1,3-thiazol-5-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-chloro-1,3-thiazol-5-yl)-2-methylpropan-1-one is CC(C)C(=O)c1cnc(Cl)s1.
What is the InChIKey of 1-(2-chloro-1,3-thiazol-5-yl)-2-methylpropan-1-one?
The InChIKey is VLHVFMQDQPMLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNOS/c1-4(2)6(10)5-3-9-7(8)11-5/h3-4H,1-2H3.
What are the key properties of 1-(2-chloro-1,3-thiazol-5-yl)-2-methylpropan-1-one?
1-(2-chloro-1,3-thiazol-5-yl)-2-methylpropan-1-one has a molecular weight of 189.67 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-1,3-thiazol-5-yl)-2-methylpropan-1-one is sourced from PubChem (CID 170758080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).