1-cyclopentylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine

C17H22N2S2 — CID 79825749

IUPAC1-cyclopentylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
SMILESNC(CSC1CCCC1)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H22N2S2/c18-14(11-20-15-8-4-5-9-15)10-17-19-16(12-21-17)13-6-2-1-3-7-13/h1-3,6-7,12,14-15H,4-5,8-11,18H2
InChIKeyIDCFZVOBHJHNAS-UHFFFAOYSA-N
MW318.51 g/mol
LogP4.36
Rot. Bonds6

About 1-cyclopentylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine

1-cyclopentylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine (PubChem CID 79825749) has the molecular formula C17H22N2S2 and a molecular weight of 318.51 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
PubChem CID79825749
Molecular FormulaC17H22N2S2
Molecular Weight318.51 g/mol
Exact Mass318.12
IUPAC Name1-cyclopentylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
SMILESNC(CSC1CCCC1)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H22N2S2/c18-14(11-20-15-8-4-5-9-15)10-17-19-16(12-21-17)13-6-2-1-3-7-13/h1-3,6-7,12,14-15H,4-5,8-11,18H2
InChIKeyIDCFZVOBHJHNAS-UHFFFAOYSA-N
XLogP4.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpropylsulfanyl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 79819598
1-cyclopentyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol
CID 115817937
1-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 79819550
2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62900718
1-(6-bicyclo[3.1.0]hexanyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 115817879
1-(2-methylcyclopentyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 107192609
4-(2-bromophenyl)-2-(cyclopentylsulfanylmethyl)-1,3-thiazole
CID 79832741
1-(1-ethylcyclopentyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105006703
5-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819900
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215
N-methyl-1-(oxan-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 79825761
2-(4-phenyl-1,3-thiazol-2-yl)-1-piperidin-3-ylethanol
CID 80559303

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of 1-cyclopentylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine (CID 79825749) is 1-cyclopentylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-cyclopentylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for 1-cyclopentylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine is NC(CSC1CCCC1)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 1-cyclopentylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is IDCFZVOBHJHNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S2/c18-14(11-20-15-8-4-5-9-15)10-17-19-16(12-21-17)13-6-2-1-3-7-13/h1-3,6-7,12,14-15H,4-5,8-11,18H2.
What are the key properties of 1-cyclopentylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine?
1-cyclopentylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 318.51 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 79825749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).