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

C15H18N2S — CID 28541004

IUPACN-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCc1nc(-c2ccc(NC3CCCC3)cc2)cs1
InChIInChI=1S/C15H18N2S/c1-11-16-15(10-18-11)12-6-8-14(9-7-12)17-13-4-2-3-5-13/h6-10,13,17H,2-5H2,1H3
InChIKeyQQDZBSIVWFUTPP-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.47
Rot. Bonds3

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

N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)aniline (PubChem CID 28541004) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)aniline.

Molecular Properties

Compound NameN-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)aniline
PubChem CID28541004
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCc1nc(-c2ccc(NC3CCCC3)cc2)cs1
InChIInChI=1S/C15H18N2S/c1-11-16-15(10-18-11)12-6-8-14(9-7-12)17-13-4-2-3-5-13/h6-10,13,17H,2-5H2,1H3
InChIKeyQQDZBSIVWFUTPP-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxycyclobutyl)-4-(2-methyl-1,3-thiazol-4-yl)aniline
CID 106821266
1-cyclohexyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 108780488
5,5-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thian-3-amine
CID 79953339
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 63421415
4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline
CID 28682074
N'-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(2-propan-2-ylcyclohexyl)oxamide
CID 86888698
6-chloro-N-cyclohexyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
CID 139300154
N-cyclopropyl-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 103438995
1-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 100560521
2-methyl-4-[4-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573169
N-(3-methylcyclobutyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 104860018
6-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 108772038

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)aniline?
The IUPAC name of N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)aniline (CID 28541004) is N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)aniline.
What is the SMILES notation for N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)aniline?
The canonical SMILES for N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)aniline is Cc1nc(-c2ccc(NC3CCCC3)cc2)cs1.
What is the InChIKey of N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)aniline?
The InChIKey is QQDZBSIVWFUTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-11-16-15(10-18-11)12-6-8-14(9-7-12)17-13-4-2-3-5-13/h6-10,13,17H,2-5H2,1H3.
What are the key properties of N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)aniline?
N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)aniline has a molecular weight of 258.39 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)aniline is sourced from PubChem (CID 28541004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).