N-(cyclopentylsulfamoyl)-4-(1,3-thiazol-2-yl)aniline

C14H17N3O2S2 — CID 110628985

IUPACN-(cyclopentylsulfamoyl)-4-(1,3-thiazol-2-yl)aniline
SMILESO=S(=O)(Nc1ccc(-c2nccs2)cc1)NC1CCCC1
InChIInChI=1S/C14H17N3O2S2/c18-21(19,16-12-3-1-2-4-12)17-13-7-5-11(6-8-13)14-15-9-10-20-14/h5-10,12,16-17H,1-4H2
InChIKeyUPGWVWMWZLWZNW-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.00
Rot. Bonds5

About N-(cyclopentylsulfamoyl)-4-(1,3-thiazol-2-yl)aniline

N-(cyclopentylsulfamoyl)-4-(1,3-thiazol-2-yl)aniline (PubChem CID 110628985) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(cyclopentylsulfamoyl)-4-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-(cyclopentylsulfamoyl)-4-(1,3-thiazol-2-yl)aniline
PubChem CID110628985
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC NameN-(cyclopentylsulfamoyl)-4-(1,3-thiazol-2-yl)aniline
SMILESO=S(=O)(Nc1ccc(-c2nccs2)cc1)NC1CCCC1
InChIInChI=1S/C14H17N3O2S2/c18-21(19,16-12-3-1-2-4-12)17-13-7-5-11(6-8-13)14-15-9-10-20-14/h5-10,12,16-17H,1-4H2
InChIKeyUPGWVWMWZLWZNW-UHFFFAOYSA-N
XLogP3.00
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-(1,3-thiazol-2-yl)aniline
CID 54861949
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
N-[4-(1,3-thiazol-2-yl)phenyl]oxan-4-amine
CID 54862523
2-(4-cyclohexylphenyl)-1,3-thiazole
CID 82085283
2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide
CID 64822199
(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119269600
3-chloro-2-methyl-N-[4-(1,3-thiazol-2-yl)phenyl]propane-1-sulfonamide
CID 79585858
N-cyclopentyl-3-(1,3-thiazol-2-yl)aniline
CID 54864565
N-(4-ethylcyclohexyl)-4-(1,3-thiazol-2-yl)aniline
CID 63448733
N-(cyclohexylsulfamoyl)pyrimidin-2-amine
CID 566693
N-(cyclopentylsulfamoyl)-4-(3-pyrrolidin-1-ylpropyl)aniline
CID 110633806
N-(3,3-dimethylcyclopentyl)-4-(1,3-thiazol-2-yl)aniline
CID 80705391

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylsulfamoyl)-4-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-(cyclopentylsulfamoyl)-4-(1,3-thiazol-2-yl)aniline (CID 110628985) is N-(cyclopentylsulfamoyl)-4-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-(cyclopentylsulfamoyl)-4-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-(cyclopentylsulfamoyl)-4-(1,3-thiazol-2-yl)aniline is O=S(=O)(Nc1ccc(-c2nccs2)cc1)NC1CCCC1.
What is the InChIKey of N-(cyclopentylsulfamoyl)-4-(1,3-thiazol-2-yl)aniline?
The InChIKey is UPGWVWMWZLWZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c18-21(19,16-12-3-1-2-4-12)17-13-7-5-11(6-8-13)14-15-9-10-20-14/h5-10,12,16-17H,1-4H2.
What are the key properties of N-(cyclopentylsulfamoyl)-4-(1,3-thiazol-2-yl)aniline?
N-(cyclopentylsulfamoyl)-4-(1,3-thiazol-2-yl)aniline has a molecular weight of 323.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylsulfamoyl)-4-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 110628985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).