2-(3-chloropentan-2-yl)-4,5-dimethyl-1,3-thiazole

C10H16ClNS — CID 65168760

IUPAC2-(3-chloropentan-2-yl)-4,5-dimethyl-1,3-thiazole
SMILESCCC(Cl)C(C)c1nc(C)c(C)s1
InChIInChI=1S/C10H16ClNS/c1-5-9(11)6(2)10-12-7(3)8(4)13-10/h6,9H,5H2,1-4H3
InChIKeyZXCLVJGAJRNWBP-UHFFFAOYSA-N
MW217.76 g/mol
LogP3.88
Rot. Bonds3

About 2-(3-chloropentan-2-yl)-4,5-dimethyl-1,3-thiazole

2-(3-chloropentan-2-yl)-4,5-dimethyl-1,3-thiazole (PubChem CID 65168760) has the molecular formula C10H16ClNS and a molecular weight of 217.76 g/mol. Its IUPAC name is 2-(3-chloropentan-2-yl)-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-chloropentan-2-yl)-4,5-dimethyl-1,3-thiazole
PubChem CID65168760
Molecular FormulaC10H16ClNS
Molecular Weight217.76 g/mol
Exact Mass217.07
IUPAC Name2-(3-chloropentan-2-yl)-4,5-dimethyl-1,3-thiazole
SMILESCCC(Cl)C(C)c1nc(C)c(C)s1
InChIInChI=1S/C10H16ClNS/c1-5-9(11)6(2)10-12-7(3)8(4)13-10/h6,9H,5H2,1-4H3
InChIKeyZXCLVJGAJRNWBP-UHFFFAOYSA-N
XLogP3.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.76
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropentan-2-yl)-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-(3-chloropentan-2-yl)-4,5-dimethyl-1,3-thiazole (CID 65168760) is 2-(3-chloropentan-2-yl)-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-(3-chloropentan-2-yl)-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-(3-chloropentan-2-yl)-4,5-dimethyl-1,3-thiazole is CCC(Cl)C(C)c1nc(C)c(C)s1.
What is the InChIKey of 2-(3-chloropentan-2-yl)-4,5-dimethyl-1,3-thiazole?
The InChIKey is ZXCLVJGAJRNWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNS/c1-5-9(11)6(2)10-12-7(3)8(4)13-10/h6,9H,5H2,1-4H3.
What are the key properties of 2-(3-chloropentan-2-yl)-4,5-dimethyl-1,3-thiazole?
2-(3-chloropentan-2-yl)-4,5-dimethyl-1,3-thiazole has a molecular weight of 217.76 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropentan-2-yl)-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 65168760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).