N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)cyclohex-2-en-1-amine

C13H18N2S — CID 115887879

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)cyclohex-2-en-1-amine
SMILESC1=CC(NCc2nc3c(s2)CCC3)CCC1
InChIInChI=1S/C13H18N2S/c1-2-5-10(6-3-1)14-9-13-15-11-7-4-8-12(11)16-13/h2,5,10,14H,1,3-4,6-9H2
InChIKeyVNAYEGUBCTXVMP-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.83
Rot. Bonds3

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)cyclohex-2-en-1-amine

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)cyclohex-2-en-1-amine (PubChem CID 115887879) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)cyclohex-2-en-1-amine
PubChem CID115887879
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)cyclohex-2-en-1-amine
SMILESC1=CC(NCc2nc3c(s2)CCC3)CCC1
InChIInChI=1S/C13H18N2S/c1-2-5-10(6-3-1)14-9-13-15-11-7-4-8-12(11)16-13/h2,5,10,14H,1,3-4,6-9H2
InChIKeyVNAYEGUBCTXVMP-UHFFFAOYSA-N
XLogP2.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)methanesulfonamide
CID 165441927
(2R,3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-ethylpyrazol-4-yl)oxan-3-amine
CID 128992535
2-ethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 58541380
2-(azetidin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 115020034
4-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)aniline
CID 94282044
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-3-fluoropropan-1-amine
CID 115887949
2-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)aniline
CID 82121960
4-[(cyclohex-2-en-1-ylamino)methyl]phenol
CID 103953716
2-[(4-cyclopropylidenepiperidin-1-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 121184287
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154910811
2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol
CID 83390528
2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 130511936

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)cyclohex-2-en-1-amine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)cyclohex-2-en-1-amine (CID 115887879) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)cyclohex-2-en-1-amine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)cyclohex-2-en-1-amine is C1=CC(NCc2nc3c(s2)CCC3)CCC1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)cyclohex-2-en-1-amine?
The InChIKey is VNAYEGUBCTXVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-2-5-10(6-3-1)14-9-13-15-11-7-4-8-12(11)16-13/h2,5,10,14H,1,3-4,6-9H2.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)cyclohex-2-en-1-amine?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)cyclohex-2-en-1-amine has a molecular weight of 234.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 115887879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).