3-butyl-5-chloro-1,2-thiazole

C7H10ClNS — CID 170101328

IUPAC3-butyl-5-chloro-1,2-thiazole
SMILESCCCCc1cc(Cl)sn1
InChIInChI=1S/C7H10ClNS/c1-2-3-4-6-5-7(8)10-9-6/h5H,2-4H2,1H3
InChIKeyUBHXWOXEMGRJTF-UHFFFAOYSA-N
MW175.68 g/mol
LogP3.14
Rot. Bonds3

About 3-butyl-5-chloro-1,2-thiazole

3-butyl-5-chloro-1,2-thiazole (PubChem CID 170101328) has the molecular formula C7H10ClNS and a molecular weight of 175.68 g/mol. Its IUPAC name is 3-butyl-5-chloro-1,2-thiazole.

Molecular Properties

Compound Name3-butyl-5-chloro-1,2-thiazole
PubChem CID170101328
Molecular FormulaC7H10ClNS
Molecular Weight175.68 g/mol
Exact Mass175.02
IUPAC Name3-butyl-5-chloro-1,2-thiazole
SMILESCCCCc1cc(Cl)sn1
InChIInChI=1S/C7H10ClNS/c1-2-3-4-6-5-7(8)10-9-6/h5H,2-4H2,1H3
InChIKeyUBHXWOXEMGRJTF-UHFFFAOYSA-N
XLogP3.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.68
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-chloro-1,2-thiazole?
The IUPAC name of 3-butyl-5-chloro-1,2-thiazole (CID 170101328) is 3-butyl-5-chloro-1,2-thiazole.
What is the SMILES notation for 3-butyl-5-chloro-1,2-thiazole?
The canonical SMILES for 3-butyl-5-chloro-1,2-thiazole is CCCCc1cc(Cl)sn1.
What is the InChIKey of 3-butyl-5-chloro-1,2-thiazole?
The InChIKey is UBHXWOXEMGRJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNS/c1-2-3-4-6-5-7(8)10-9-6/h5H,2-4H2,1H3.
What are the key properties of 3-butyl-5-chloro-1,2-thiazole?
3-butyl-5-chloro-1,2-thiazole has a molecular weight of 175.68 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-chloro-1,2-thiazole is sourced from PubChem (CID 170101328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).