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

C6H9ClN2O2S2 — CID 130693836

IUPAC2-chloro-N-(2-methylsulfonylethyl)-1,3-thiazol-4-amine
SMILESCS(=O)(=O)CCNc1csc(Cl)n1
InChIInChI=1S/C6H9ClN2O2S2/c1-13(10,11)3-2-8-5-4-12-6(7)9-5/h4,8H,2-3H2,1H3
InChIKeyBWKKJWCWSWUZGF-UHFFFAOYSA-N
MW240.74 g/mol
LogP1.25
Rot. Bonds4

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

2-chloro-N-(2-methylsulfonylethyl)-1,3-thiazol-4-amine (PubChem CID 130693836) has the molecular formula C6H9ClN2O2S2 and a molecular weight of 240.74 g/mol. Its IUPAC name is 2-chloro-N-(2-methylsulfonylethyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-methylsulfonylethyl)-1,3-thiazol-4-amine
PubChem CID130693836
Molecular FormulaC6H9ClN2O2S2
Molecular Weight240.74 g/mol
Exact Mass239.98
IUPAC Name2-chloro-N-(2-methylsulfonylethyl)-1,3-thiazol-4-amine
SMILESCS(=O)(=O)CCNc1csc(Cl)n1
InChIInChI=1S/C6H9ClN2O2S2/c1-13(10,11)3-2-8-5-4-12-6(7)9-5/h4,8H,2-3H2,1H3
InChIKeyBWKKJWCWSWUZGF-UHFFFAOYSA-N
XLogP1.25
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(2-Chloro-1,3-thiazol-4-yl)-methylamino]ethyl]-3-methylthiourea
CID 54081741
N-ethyl-2-methylsulfonyl-1,3-thiazol-4-amine
CID 67303290
N-ethyl-2-methyl-1,3-thiazol-4-amine
CID 67482238
2-(aminomethyl)-N-ethyl-1,3-thiazol-4-amine
CID 67482329
N-ethyl-2-methyl-1,3-thiazol-4-amine;hydrochloride
CID 67523318
N-(2-amino-1,3-thiazol-4-yl)-N-methylmethanesulfonamide
CID 87387410
4-N-ethyl-1,3-thiazole-2,4-diamine
CID 87416726
N2,N2-Diethylthiazole-2,4-diamine hydrochloride
CID 91927292
N2-ethyl-1,3-thiazole-2,4-diamine
CID 117189257
N-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide;hydrochloride
CID 135331183
n-(2-Methylthiazol-4-yl)methanesulfonamide
CID 135331184
N,2-dimethyl-1,3-thiazol-4-amine;dihydrochloride
CID 172751463

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylsulfonylethyl)-1,3-thiazol-4-amine?
The IUPAC name of 2-chloro-N-(2-methylsulfonylethyl)-1,3-thiazol-4-amine (CID 130693836) is 2-chloro-N-(2-methylsulfonylethyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-chloro-N-(2-methylsulfonylethyl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-chloro-N-(2-methylsulfonylethyl)-1,3-thiazol-4-amine is CS(=O)(=O)CCNc1csc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2-methylsulfonylethyl)-1,3-thiazol-4-amine?
The InChIKey is BWKKJWCWSWUZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O2S2/c1-13(10,11)3-2-8-5-4-12-6(7)9-5/h4,8H,2-3H2,1H3.
What are the key properties of 2-chloro-N-(2-methylsulfonylethyl)-1,3-thiazol-4-amine?
2-chloro-N-(2-methylsulfonylethyl)-1,3-thiazol-4-amine has a molecular weight of 240.74 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylsulfonylethyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 130693836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).