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

C7H10ClNS — CID 83906140

IUPAC5-chloro-3-(2-methylpropyl)-1,2-thiazole
SMILESCC(C)Cc1cc(Cl)sn1
InChIInChI=1S/C7H10ClNS/c1-5(2)3-6-4-7(8)10-9-6/h4-5H,3H2,1-2H3
InChIKeyMWPLHPAONLDQOC-UHFFFAOYSA-N
MW175.68 g/mol
LogP2.99
Rot. Bonds2

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

5-chloro-3-(2-methylpropyl)-1,2-thiazole (PubChem CID 83906140) has the molecular formula C7H10ClNS and a molecular weight of 175.68 g/mol. Its IUPAC name is 5-chloro-3-(2-methylpropyl)-1,2-thiazole.

Molecular Properties

Compound Name5-chloro-3-(2-methylpropyl)-1,2-thiazole
PubChem CID83906140
Molecular FormulaC7H10ClNS
Molecular Weight175.68 g/mol
Exact Mass175.02
IUPAC Name5-chloro-3-(2-methylpropyl)-1,2-thiazole
SMILESCC(C)Cc1cc(Cl)sn1
InChIInChI=1S/C7H10ClNS/c1-5(2)3-6-4-7(8)10-9-6/h4-5H,3H2,1-2H3
InChIKeyMWPLHPAONLDQOC-UHFFFAOYSA-N
XLogP2.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.68
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-methylpropyl)-1,2-thiazole?
The IUPAC name of 5-chloro-3-(2-methylpropyl)-1,2-thiazole (CID 83906140) is 5-chloro-3-(2-methylpropyl)-1,2-thiazole.
What is the SMILES notation for 5-chloro-3-(2-methylpropyl)-1,2-thiazole?
The canonical SMILES for 5-chloro-3-(2-methylpropyl)-1,2-thiazole is CC(C)Cc1cc(Cl)sn1.
What is the InChIKey of 5-chloro-3-(2-methylpropyl)-1,2-thiazole?
The InChIKey is MWPLHPAONLDQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNS/c1-5(2)3-6-4-7(8)10-9-6/h4-5H,3H2,1-2H3.
What are the key properties of 5-chloro-3-(2-methylpropyl)-1,2-thiazole?
5-chloro-3-(2-methylpropyl)-1,2-thiazole has a molecular weight of 175.68 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-methylpropyl)-1,2-thiazole is sourced from PubChem (CID 83906140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).