N-[[2-(cyclopentylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C13H22N2S2 — CID 65140276

IUPACN-[[2-(cyclopentylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(CSC2CCCC2)s1
InChIInChI=1S/C13H22N2S2/c1-2-7-14-8-12-9-15-13(17-12)10-16-11-5-3-4-6-11/h9,11,14H,2-8,10H2,1H3
InChIKeyMTMRBKYOKNTTPU-UHFFFAOYSA-N
MW270.47 g/mol
LogP3.82
Rot. Bonds7

About N-[[2-(cyclopentylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[2-(cyclopentylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 65140276) has the molecular formula C13H22N2S2 and a molecular weight of 270.47 g/mol. Its IUPAC name is N-[[2-(cyclopentylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(cyclopentylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID65140276
Molecular FormulaC13H22N2S2
Molecular Weight270.47 g/mol
Exact Mass270.12
IUPAC NameN-[[2-(cyclopentylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(CSC2CCCC2)s1
InChIInChI=1S/C13H22N2S2/c1-2-7-14-8-12-9-15-13(17-12)10-16-11-5-3-4-6-11/h9,11,14H,2-8,10H2,1H3
InChIKeyMTMRBKYOKNTTPU-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82424672
N-[[2-(cyclopentylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841548
2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60983544
N-[[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104692497
N-[[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62750277
N-[[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82424873
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79924400
N-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82423466
N-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62329930
N-[[2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82423186
N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107925530
N-[[2-[(4-bromophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61283101

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopentylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(cyclopentylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 65140276) is N-[[2-(cyclopentylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(cyclopentylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(cyclopentylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1cnc(CSC2CCCC2)s1.
What is the InChIKey of N-[[2-(cyclopentylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is MTMRBKYOKNTTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S2/c1-2-7-14-8-12-9-15-13(17-12)10-16-11-5-3-4-6-11/h9,11,14H,2-8,10H2,1H3.
What are the key properties of N-[[2-(cyclopentylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(cyclopentylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 270.47 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopentylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 65140276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).