1-(2-chloro-4-methyl-1,3-thiazol-5-yl)-2-methylpropan-1-one

C8H10ClNOS — CID 171593762

IUPAC1-(2-chloro-4-methyl-1,3-thiazol-5-yl)-2-methylpropan-1-one
SMILESCc1nc(Cl)sc1C(=O)C(C)C
InChIInChI=1S/C8H10ClNOS/c1-4(2)6(11)7-5(3)10-8(9)12-7/h4H,1-3H3
InChIKeyYFEQUWLQEOXDFW-UHFFFAOYSA-N
MW203.69 g/mol
LogP2.94
Rot. Bonds2

About 1-(2-chloro-4-methyl-1,3-thiazol-5-yl)-2-methylpropan-1-one

1-(2-chloro-4-methyl-1,3-thiazol-5-yl)-2-methylpropan-1-one (PubChem CID 171593762) has the molecular formula C8H10ClNOS and a molecular weight of 203.69 g/mol. Its IUPAC name is 1-(2-chloro-4-methyl-1,3-thiazol-5-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-chloro-4-methyl-1,3-thiazol-5-yl)-2-methylpropan-1-one
PubChem CID171593762
Molecular FormulaC8H10ClNOS
Molecular Weight203.69 g/mol
Exact Mass203.02
IUPAC Name1-(2-chloro-4-methyl-1,3-thiazol-5-yl)-2-methylpropan-1-one
SMILESCc1nc(Cl)sc1C(=O)C(C)C
InChIInChI=1S/C8H10ClNOS/c1-4(2)6(11)7-5(3)10-8(9)12-7/h4H,1-3H3
InChIKeyYFEQUWLQEOXDFW-UHFFFAOYSA-N
XLogP2.94
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 67684501
aziridin-1-yl-(2-chloro-4-methyl-1,3-thiazol-5-yl)methanone
CID 130629090
1-[2-(4-amino-1,2-dihydrodiazet-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-one
CID 170582449
2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one
CID 170521186
2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide
CID 91821812
1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone
CID 90936169
2-chloro-N-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91821697
2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 850554
2-methyl-1-(2-methyl-4-propan-2-yloxy-1,3-thiazol-5-yl)propan-1-one
CID 59718727
1-(3-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-one
CID 103407395
1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-one
CID 118673394
2-[(2-chloro-4-methyl-1,3-thiazole-5-carbonyl)-methylamino]-3-phenylpropanoic acid
CID 166317439

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methyl-1,3-thiazol-5-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(2-chloro-4-methyl-1,3-thiazol-5-yl)-2-methylpropan-1-one (CID 171593762) is 1-(2-chloro-4-methyl-1,3-thiazol-5-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-chloro-4-methyl-1,3-thiazol-5-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-chloro-4-methyl-1,3-thiazol-5-yl)-2-methylpropan-1-one is Cc1nc(Cl)sc1C(=O)C(C)C.
What is the InChIKey of 1-(2-chloro-4-methyl-1,3-thiazol-5-yl)-2-methylpropan-1-one?
The InChIKey is YFEQUWLQEOXDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNOS/c1-4(2)6(11)7-5(3)10-8(9)12-7/h4H,1-3H3.
What are the key properties of 1-(2-chloro-4-methyl-1,3-thiazol-5-yl)-2-methylpropan-1-one?
1-(2-chloro-4-methyl-1,3-thiazol-5-yl)-2-methylpropan-1-one has a molecular weight of 203.69 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methyl-1,3-thiazol-5-yl)-2-methylpropan-1-one is sourced from PubChem (CID 171593762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).