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

C9H13ClN2S — CID 130652422

IUPAC2-chloro-N-(cyclobutylmethyl)-N-methyl-1,3-thiazol-4-amine
SMILESCN(CC1CCC1)c1csc(Cl)n1
InChIInChI=1S/C9H13ClN2S/c1-12(5-7-3-2-4-7)8-6-13-9(10)11-8/h6-7H,2-5H2,1H3
InChIKeyCJQPVIORHXBPIA-UHFFFAOYSA-N
MW216.74 g/mol
LogP3.03
Rot. Bonds3

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

2-chloro-N-(cyclobutylmethyl)-N-methyl-1,3-thiazol-4-amine (PubChem CID 130652422) has the molecular formula C9H13ClN2S and a molecular weight of 216.74 g/mol. Its IUPAC name is 2-chloro-N-(cyclobutylmethyl)-N-methyl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-chloro-N-(cyclobutylmethyl)-N-methyl-1,3-thiazol-4-amine
PubChem CID130652422
Molecular FormulaC9H13ClN2S
Molecular Weight216.74 g/mol
Exact Mass216.05
IUPAC Name2-chloro-N-(cyclobutylmethyl)-N-methyl-1,3-thiazol-4-amine
SMILESCN(CC1CCC1)c1csc(Cl)n1
InChIInChI=1S/C9H13ClN2S/c1-12(5-7-3-2-4-7)8-6-13-9(10)11-8/h6-7H,2-5H2,1H3
InChIKeyCJQPVIORHXBPIA-UHFFFAOYSA-N
XLogP3.03
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.74
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclobutylmethyl)-N-methyl-1,3-thiazol-4-amine?
The IUPAC name of 2-chloro-N-(cyclobutylmethyl)-N-methyl-1,3-thiazol-4-amine (CID 130652422) is 2-chloro-N-(cyclobutylmethyl)-N-methyl-1,3-thiazol-4-amine.
What is the SMILES notation for 2-chloro-N-(cyclobutylmethyl)-N-methyl-1,3-thiazol-4-amine?
The canonical SMILES for 2-chloro-N-(cyclobutylmethyl)-N-methyl-1,3-thiazol-4-amine is CN(CC1CCC1)c1csc(Cl)n1.
What is the InChIKey of 2-chloro-N-(cyclobutylmethyl)-N-methyl-1,3-thiazol-4-amine?
The InChIKey is CJQPVIORHXBPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2S/c1-12(5-7-3-2-4-7)8-6-13-9(10)11-8/h6-7H,2-5H2,1H3.
What are the key properties of 2-chloro-N-(cyclobutylmethyl)-N-methyl-1,3-thiazol-4-amine?
2-chloro-N-(cyclobutylmethyl)-N-methyl-1,3-thiazol-4-amine has a molecular weight of 216.74 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclobutylmethyl)-N-methyl-1,3-thiazol-4-amine is sourced from PubChem (CID 130652422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).