2-cyclopentylsulfanyl-N-(1,3-thiazol-4-ylmethyl)aniline

C15H18N2S2 — CID 61170826

IUPAC2-cyclopentylsulfanyl-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESc1ccc(SC2CCCC2)c(NCc2cscn2)c1
InChIInChI=1S/C15H18N2S2/c1-2-6-13(5-1)19-15-8-4-3-7-14(15)16-9-12-10-18-11-17-12/h3-4,7-8,10-11,13,16H,1-2,5-6,9H2
InChIKeyGXEWJYBOARBAGC-UHFFFAOYSA-N
MW290.46 g/mol
LogP4.79
Rot. Bonds5

About 2-cyclopentylsulfanyl-N-(1,3-thiazol-4-ylmethyl)aniline

2-cyclopentylsulfanyl-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 61170826) has the molecular formula C15H18N2S2 and a molecular weight of 290.46 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID61170826
Molecular FormulaC15H18N2S2
Molecular Weight290.46 g/mol
Exact Mass290.09
IUPAC Name2-cyclopentylsulfanyl-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESc1ccc(SC2CCCC2)c(NCc2cscn2)c1
InChIInChI=1S/C15H18N2S2/c1-2-6-13(5-1)19-15-8-4-3-7-14(15)16-9-12-10-18-11-17-12/h3-4,7-8,10-11,13,16H,1-2,5-6,9H2
InChIKeyGXEWJYBOARBAGC-UHFFFAOYSA-N
XLogP4.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62755248
2-cyclopentylsulfanyl-N-[(2-methylphenyl)methyl]aniline
CID 43737712
2-cyclopentylsulfanyl-N-(furan-3-ylmethyl)aniline
CID 63204180
2-cyclopentylsulfanyl-N-[(5-ethylfuran-2-yl)methyl]aniline
CID 63447163
N-(1,3-thiazol-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 60688050
2-(difluoromethylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61169847
2-bromo-3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 103478131
5-(1,3-thiazol-4-ylmethylamino)naphthalen-1-ol
CID 61169852
N-(1,3-thiazol-4-ylmethyl)cyclooctanamine
CID 60687158
3-(1,3-thiazol-4-ylmethylamino)-1H-pyridin-2-one
CID 130778586
methyl 2-(1,3-thiazol-4-ylmethylamino)benzoate
CID 60684068
2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 61373861

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 2-cyclopentylsulfanyl-N-(1,3-thiazol-4-ylmethyl)aniline (CID 61170826) is 2-cyclopentylsulfanyl-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 2-cyclopentylsulfanyl-N-(1,3-thiazol-4-ylmethyl)aniline is c1ccc(SC2CCCC2)c(NCc2cscn2)c1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is GXEWJYBOARBAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S2/c1-2-6-13(5-1)19-15-8-4-3-7-14(15)16-9-12-10-18-11-17-12/h3-4,7-8,10-11,13,16H,1-2,5-6,9H2.
What are the key properties of 2-cyclopentylsulfanyl-N-(1,3-thiazol-4-ylmethyl)aniline?
2-cyclopentylsulfanyl-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 290.46 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 61170826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).