4-chloro-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine

C9H15ClN2S — CID 83155951

IUPAC4-chloro-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
SMILESCC(C)C(C)N(C)c1nc(Cl)cs1
InChIInChI=1S/C9H15ClN2S/c1-6(2)7(3)12(4)9-11-8(10)5-13-9/h5-7H,1-4H3
InChIKeyREZAOQGOSBEFKP-UHFFFAOYSA-N
MW218.75 g/mol
LogP3.28
Rot. Bonds3

About 4-chloro-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine

4-chloro-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine (PubChem CID 83155951) has the molecular formula C9H15ClN2S and a molecular weight of 218.75 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
PubChem CID83155951
Molecular FormulaC9H15ClN2S
Molecular Weight218.75 g/mol
Exact Mass218.06
IUPAC Name4-chloro-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
SMILESCC(C)C(C)N(C)c1nc(Cl)cs1
InChIInChI=1S/C9H15ClN2S/c1-6(2)7(3)12(4)9-11-8(10)5-13-9/h5-7H,1-4H3
InChIKeyREZAOQGOSBEFKP-UHFFFAOYSA-N
XLogP3.28
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.75
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine (CID 83155951) is 4-chloro-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine is CC(C)C(C)N(C)c1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is REZAOQGOSBEFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2S/c1-6(2)7(3)12(4)9-11-8(10)5-13-9/h5-7H,1-4H3.
What are the key properties of 4-chloro-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine?
4-chloro-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 218.75 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83155951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).