5-chloro-2-pentan-3-yl-1,3-thiazole

C8H12ClNS — CID 134536387

IUPAC5-chloro-2-pentan-3-yl-1,3-thiazole
SMILESCCC(CC)c1ncc(Cl)s1
InChIInChI=1S/C8H12ClNS/c1-3-6(4-2)8-10-5-7(9)11-8/h5-6H,3-4H2,1-2H3
InChIKeyKEEDAWRRVRNQFB-UHFFFAOYSA-N
MW189.71 g/mol
LogP3.70
Rot. Bonds3

About 5-chloro-2-pentan-3-yl-1,3-thiazole

5-chloro-2-pentan-3-yl-1,3-thiazole (PubChem CID 134536387) has the molecular formula C8H12ClNS and a molecular weight of 189.71 g/mol. Its IUPAC name is 5-chloro-2-pentan-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-pentan-3-yl-1,3-thiazole
PubChem CID134536387
Molecular FormulaC8H12ClNS
Molecular Weight189.71 g/mol
Exact Mass189.04
IUPAC Name5-chloro-2-pentan-3-yl-1,3-thiazole
SMILESCCC(CC)c1ncc(Cl)s1
InChIInChI=1S/C8H12ClNS/c1-3-6(4-2)8-10-5-7(9)11-8/h5-6H,3-4H2,1-2H3
InChIKeyKEEDAWRRVRNQFB-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-pentan-3-yl-1,3-thiazole?
The IUPAC name of 5-chloro-2-pentan-3-yl-1,3-thiazole (CID 134536387) is 5-chloro-2-pentan-3-yl-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-pentan-3-yl-1,3-thiazole?
The canonical SMILES for 5-chloro-2-pentan-3-yl-1,3-thiazole is CCC(CC)c1ncc(Cl)s1.
What is the InChIKey of 5-chloro-2-pentan-3-yl-1,3-thiazole?
The InChIKey is KEEDAWRRVRNQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNS/c1-3-6(4-2)8-10-5-7(9)11-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-chloro-2-pentan-3-yl-1,3-thiazole?
5-chloro-2-pentan-3-yl-1,3-thiazole has a molecular weight of 189.71 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-pentan-3-yl-1,3-thiazole is sourced from PubChem (CID 134536387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).