N-[2-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopentanamine

C18H24N2S — CID 82102862

IUPACN-[2-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopentanamine
SMILESCc1ccc(-c2nc(CCNC3CCCC3)sc2C)cc1
InChIInChI=1S/C18H24N2S/c1-13-7-9-15(10-8-13)18-14(2)21-17(20-18)11-12-19-16-5-3-4-6-16/h7-10,16,19H,3-6,11-12H2,1-2H3
InChIKeyHFKROAVPQVRCIF-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.50
Rot. Bonds5

About N-[2-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopentanamine

N-[2-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopentanamine (PubChem CID 82102862) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-[2-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopentanamine
PubChem CID82102862
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC NameN-[2-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopentanamine
SMILESCc1ccc(-c2nc(CCNC3CCCC3)sc2C)cc1
InChIInChI=1S/C18H24N2S/c1-13-7-9-15(10-8-13)18-14(2)21-17(20-18)11-12-19-16-5-3-4-6-16/h7-10,16,19H,3-6,11-12H2,1-2H3
InChIKeyHFKROAVPQVRCIF-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropanamine
CID 82103043
N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine
CID 166275175
N-[2-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
CID 82102760
2-hydroxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 110014751
5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
CID 2129747
N-[2-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82102720
O-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]hydroxylamine
CID 82044166
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]thiolan-3-amine
CID 115729045
N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82422546
[4-[2-(2-cyclopropylethyl)-5-methyl-1,3-thiazol-4-yl]phenyl]methanamine
CID 58495685
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine
CID 82103393
N-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine
CID 63504780

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopentanamine?
The IUPAC name of N-[2-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopentanamine (CID 82102862) is N-[2-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopentanamine?
The canonical SMILES for N-[2-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopentanamine is Cc1ccc(-c2nc(CCNC3CCCC3)sc2C)cc1.
What is the InChIKey of N-[2-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopentanamine?
The InChIKey is HFKROAVPQVRCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-13-7-9-15(10-8-13)18-14(2)21-17(20-18)11-12-19-16-5-3-4-6-16/h7-10,16,19H,3-6,11-12H2,1-2H3.
What are the key properties of N-[2-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopentanamine?
N-[2-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopentanamine has a molecular weight of 300.47 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopentanamine is sourced from PubChem (CID 82102862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).