2-chloro-5-(3-methylbutyl)-1,3-thiazole

C8H12ClNS — CID 59718640

IUPAC2-chloro-5-(3-methylbutyl)-1,3-thiazole
SMILESCC(C)CCc1cnc(Cl)s1
InChIInChI=1S/C8H12ClNS/c1-6(2)3-4-7-5-10-8(9)11-7/h5-6H,3-4H2,1-2H3
InChIKeyVIIQYZMCYNISMR-UHFFFAOYSA-N
MW189.71 g/mol
LogP3.39
Rot. Bonds3

About 2-chloro-5-(3-methylbutyl)-1,3-thiazole

2-chloro-5-(3-methylbutyl)-1,3-thiazole (PubChem CID 59718640) has the molecular formula C8H12ClNS and a molecular weight of 189.71 g/mol. Its IUPAC name is 2-chloro-5-(3-methylbutyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(3-methylbutyl)-1,3-thiazole
PubChem CID59718640
Molecular FormulaC8H12ClNS
Molecular Weight189.71 g/mol
Exact Mass189.04
IUPAC Name2-chloro-5-(3-methylbutyl)-1,3-thiazole
SMILESCC(C)CCc1cnc(Cl)s1
InChIInChI=1S/C8H12ClNS/c1-6(2)3-4-7-5-10-8(9)11-7/h5-6H,3-4H2,1-2H3
InChIKeyVIIQYZMCYNISMR-UHFFFAOYSA-N
XLogP3.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.71
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-methylbutyl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-(3-methylbutyl)-1,3-thiazole (CID 59718640) is 2-chloro-5-(3-methylbutyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(3-methylbutyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(3-methylbutyl)-1,3-thiazole is CC(C)CCc1cnc(Cl)s1.
What is the InChIKey of 2-chloro-5-(3-methylbutyl)-1,3-thiazole?
The InChIKey is VIIQYZMCYNISMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNS/c1-6(2)3-4-7-5-10-8(9)11-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-chloro-5-(3-methylbutyl)-1,3-thiazole?
2-chloro-5-(3-methylbutyl)-1,3-thiazole has a molecular weight of 189.71 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-methylbutyl)-1,3-thiazole is sourced from PubChem (CID 59718640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).