N-[[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C13H22N2O2S2 — CID 82436832

IUPACN-[[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCS(=O)(=O)Cc1nc(C2CC2)c(CNC(C)C)s1
InChIInChI=1S/C13H22N2O2S2/c1-4-19(16,17)8-12-15-13(10-5-6-10)11(18-12)7-14-9(2)3/h9-10,14H,4-8H2,1-3H3
InChIKeyQLWXLIDQUGEBMG-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.45
Rot. Bonds7

About N-[[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 82436832) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID82436832
Molecular FormulaC13H22N2O2S2
Molecular Weight302.47 g/mol
Exact Mass302.11
IUPAC NameN-[[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCS(=O)(=O)Cc1nc(C2CC2)c(CNC(C)C)s1
InChIInChI=1S/C13H22N2O2S2/c1-4-19(16,17)8-12-15-13(10-5-6-10)11(18-12)7-14-9(2)3/h9-10,14H,4-8H2,1-3H3
InChIKeyQLWXLIDQUGEBMG-UHFFFAOYSA-N
XLogP2.45
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-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 N-[[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 82436832) is N-[[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CCS(=O)(=O)Cc1nc(C2CC2)c(CNC(C)C)s1.
What is the InChIKey of N-[[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is QLWXLIDQUGEBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-4-19(16,17)8-12-15-13(10-5-6-10)11(18-12)7-14-9(2)3/h9-10,14H,4-8H2,1-3H3.
What are the key properties of N-[[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 302.47 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 82436832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).