2-chloro-4-methyl-5-(2-methylpropyl)-1,3-thiazole

C8H12ClNS — CID 130516681

IUPAC2-chloro-4-methyl-5-(2-methylpropyl)-1,3-thiazole
SMILESCc1nc(Cl)sc1CC(C)C
InChIInChI=1S/C8H12ClNS/c1-5(2)4-7-6(3)10-8(9)11-7/h5H,4H2,1-3H3
InChIKeyKINBVEZFWDAZDA-UHFFFAOYSA-N
MW189.71 g/mol
LogP3.30
Rot. Bonds2

About 2-chloro-4-methyl-5-(2-methylpropyl)-1,3-thiazole

2-chloro-4-methyl-5-(2-methylpropyl)-1,3-thiazole (PubChem CID 130516681) has the molecular formula C8H12ClNS and a molecular weight of 189.71 g/mol. Its IUPAC name is 2-chloro-4-methyl-5-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-methyl-5-(2-methylpropyl)-1,3-thiazole
PubChem CID130516681
Molecular FormulaC8H12ClNS
Molecular Weight189.71 g/mol
Exact Mass189.04
IUPAC Name2-chloro-4-methyl-5-(2-methylpropyl)-1,3-thiazole
SMILESCc1nc(Cl)sc1CC(C)C
InChIInChI=1S/C8H12ClNS/c1-5(2)4-7-6(3)10-8(9)11-7/h5H,4H2,1-3H3
InChIKeyKINBVEZFWDAZDA-UHFFFAOYSA-N
XLogP3.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.71
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-methyl-4-(2-methylpropyl)-1,3-thiazole
CID 55265009
4-methyl-5-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole
CID 70910859
2-chloro-4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole
CID 114868702
[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol
CID 82426539
[2-chloro-5-(2-methylpropyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
CID 75489555
2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)methylsulfanyl]acetic acid
CID 145363257
2-chloro-4-[(3E)-5-methylidenehepta-1,3-dien-3-yl]-5-(2-methylpropyl)-1,3-thiazole
CID 167489590
1-(2-chloro-4-methyl-1,3-thiazol-5-yl)-2-methylpropan-1-one
CID 171593762
2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]acetonitrile
CID 82426538
3-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylpropan-1-amine
CID 116884822
2-chloro-4-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-sulfonamide
CID 43456245
2-chloro-4-[4-chloro-3-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
CID 167489349

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-5-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 2-chloro-4-methyl-5-(2-methylpropyl)-1,3-thiazole (CID 130516681) is 2-chloro-4-methyl-5-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-methyl-5-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-4-methyl-5-(2-methylpropyl)-1,3-thiazole is Cc1nc(Cl)sc1CC(C)C.
What is the InChIKey of 2-chloro-4-methyl-5-(2-methylpropyl)-1,3-thiazole?
The InChIKey is KINBVEZFWDAZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNS/c1-5(2)4-7-6(3)10-8(9)11-7/h5H,4H2,1-3H3.
What are the key properties of 2-chloro-4-methyl-5-(2-methylpropyl)-1,3-thiazole?
2-chloro-4-methyl-5-(2-methylpropyl)-1,3-thiazole has a molecular weight of 189.71 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-5-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 130516681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).