2-chloro-5-(3-methylbutan-2-yl)-1,3-thiazole

C8H12ClNS — CID 140919580

IUPAC2-chloro-5-(3-methylbutan-2-yl)-1,3-thiazole
SMILESCC(C)C(C)c1cnc(Cl)s1
InChIInChI=1S/C8H12ClNS/c1-5(2)6(3)7-4-10-8(9)11-7/h4-6H,1-3H3
InChIKeyCAHMHIWMKTYVTN-UHFFFAOYSA-N
MW189.71 g/mol
LogP3.56
Rot. Bonds2

About 2-chloro-5-(3-methylbutan-2-yl)-1,3-thiazole

2-chloro-5-(3-methylbutan-2-yl)-1,3-thiazole (PubChem CID 140919580) has the molecular formula C8H12ClNS and a molecular weight of 189.71 g/mol. Its IUPAC name is 2-chloro-5-(3-methylbutan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(3-methylbutan-2-yl)-1,3-thiazole
PubChem CID140919580
Molecular FormulaC8H12ClNS
Molecular Weight189.71 g/mol
Exact Mass189.04
IUPAC Name2-chloro-5-(3-methylbutan-2-yl)-1,3-thiazole
SMILESCC(C)C(C)c1cnc(Cl)s1
InChIInChI=1S/C8H12ClNS/c1-5(2)6(3)7-4-10-8(9)11-7/h4-6H,1-3H3
InChIKeyCAHMHIWMKTYVTN-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-[(2S)-3-methylbutan-2-yl]-1,3-thiazole
CID 166765987
5-(3-methylbutan-2-yl)-1,3-thiazole
CID 137491258
2-chloro-5-(3,4,4-trimethylpentyl)-1,3-thiazole
CID 71101009
3-(2-chloro-1,3-thiazol-5-yl)-3-hydroxypropanoic acid
CID 130614894
5-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine
CID 130517381
2-[(R)-(2-chloro-1,3-thiazol-5-yl)-hydroxymethyl]-2-hydroxybutanoic acid
CID 175002854
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethylpropan-2-amine
CID 79765211
N-[2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 135345940
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-cyclopropyl-N-methylethanamine
CID 79765083
2-chloro-5-propyl-1,3-thiazole
CID 56625607
(1S)-1-(2-bromo-1,3-thiazol-5-yl)ethanamine
CID 96955798
2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole
CID 59623704

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-methylbutan-2-yl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-(3-methylbutan-2-yl)-1,3-thiazole (CID 140919580) is 2-chloro-5-(3-methylbutan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(3-methylbutan-2-yl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(3-methylbutan-2-yl)-1,3-thiazole is CC(C)C(C)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-5-(3-methylbutan-2-yl)-1,3-thiazole?
The InChIKey is CAHMHIWMKTYVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNS/c1-5(2)6(3)7-4-10-8(9)11-7/h4-6H,1-3H3.
What are the key properties of 2-chloro-5-(3-methylbutan-2-yl)-1,3-thiazole?
2-chloro-5-(3-methylbutan-2-yl)-1,3-thiazole has a molecular weight of 189.71 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-methylbutan-2-yl)-1,3-thiazole is sourced from PubChem (CID 140919580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).