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

C15H18N2S — CID 43714323

IUPACN-(1-cyclopropylethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCc1nc(-c2cccc(NC(C)C3CC3)c2)cs1
InChIInChI=1S/C15H18N2S/c1-10(12-6-7-12)16-14-5-3-4-13(8-14)15-9-18-11(2)17-15/h3-5,8-10,12,16H,6-7H2,1-2H3
InChIKeyJJYGVHSPMJJLKL-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.33
Rot. Bonds4

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

N-(1-cyclopropylethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline (PubChem CID 43714323) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
PubChem CID43714323
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-(1-cyclopropylethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCc1nc(-c2cccc(NC(C)C3CC3)c2)cs1
InChIInChI=1S/C15H18N2S/c1-10(12-6-7-12)16-14-5-3-4-13(8-14)15-9-18-11(2)17-15/h3-5,8-10,12,16H,6-7H2,1-2H3
InChIKeyJJYGVHSPMJJLKL-UHFFFAOYSA-N
XLogP4.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyclopropylethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline with MolForge

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

Launch Full Analysis

Related Compounds

N-(5-methylheptan-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 43714309
N-heptan-3-yl-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 63945706
N-(3-methylcyclobutyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 104860018
2-(azetidin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 116675510
2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 43699209
N-(3-ethylcyclopentyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 64500643
3-(2-methyl-1,3-thiazol-4-yl)-N-(oxan-4-ylmethyl)aniline
CID 62384496
N-(1-cyclopropylethyl)-3-(2H-tetrazol-5-yl)aniline
CID 43732101
1-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 100560521
3-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)aniline
CID 82833997
2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573268
N-(2,2-dimethoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 55233873

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline?
The IUPAC name of N-(1-cyclopropylethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline (CID 43714323) is N-(1-cyclopropylethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline?
The canonical SMILES for N-(1-cyclopropylethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline is Cc1nc(-c2cccc(NC(C)C3CC3)c2)cs1.
What is the InChIKey of N-(1-cyclopropylethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline?
The InChIKey is JJYGVHSPMJJLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-10(12-6-7-12)16-14-5-3-4-13(8-14)15-9-18-11(2)17-15/h3-5,8-10,12,16H,6-7H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline?
N-(1-cyclopropylethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline has a molecular weight of 258.39 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline is sourced from PubChem (CID 43714323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).