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

C7H10ClNS — CID 56630093

IUPAC2-chloro-5-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1cnc(Cl)s1
InChIInChI=1S/C7H10ClNS/c1-5(2)3-6-4-9-7(8)10-6/h4-5H,3H2,1-2H3
InChIKeyHOLFXMSFFUWBEK-UHFFFAOYSA-N
MW175.68 g/mol
LogP2.99
Rot. Bonds2

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

2-chloro-5-(2-methylpropyl)-1,3-thiazole (PubChem CID 56630093) has the molecular formula C7H10ClNS and a molecular weight of 175.68 g/mol. Its IUPAC name is 2-chloro-5-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(2-methylpropyl)-1,3-thiazole
PubChem CID56630093
Molecular FormulaC7H10ClNS
Molecular Weight175.68 g/mol
Exact Mass175.02
IUPAC Name2-chloro-5-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1cnc(Cl)s1
InChIInChI=1S/C7H10ClNS/c1-5(2)3-6-4-9-7(8)10-6/h4-5H,3H2,1-2H3
InChIKeyHOLFXMSFFUWBEK-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 2-chloro-5-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-(2-methylpropyl)-1,3-thiazole (CID 56630093) is 2-chloro-5-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(2-methylpropyl)-1,3-thiazole is CC(C)Cc1cnc(Cl)s1.
What is the InChIKey of 2-chloro-5-(2-methylpropyl)-1,3-thiazole?
The InChIKey is HOLFXMSFFUWBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNS/c1-5(2)3-6-4-9-7(8)10-6/h4-5H,3H2,1-2H3.
What are the key properties of 2-chloro-5-(2-methylpropyl)-1,3-thiazole?
2-chloro-5-(2-methylpropyl)-1,3-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 2-chloro-5-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 56630093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).