1-cyclopentyl-N-(thian-2-ylmethyl)imidazol-2-amine

C14H23N3S — CID 106577148

IUPAC1-cyclopentyl-N-(thian-2-ylmethyl)imidazol-2-amine
SMILESc1cn(C2CCCC2)c(NCC2CCCCS2)n1
InChIInChI=1S/C14H23N3S/c1-2-6-12(5-1)17-9-8-15-14(17)16-11-13-7-3-4-10-18-13/h8-9,12-13H,1-7,10-11H2,(H,15,16)
InChIKeyDJNJDIMVARCCJI-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.70
Rot. Bonds4

About 1-cyclopentyl-N-(thian-2-ylmethyl)imidazol-2-amine

1-cyclopentyl-N-(thian-2-ylmethyl)imidazol-2-amine (PubChem CID 106577148) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 1-cyclopentyl-N-(thian-2-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-(thian-2-ylmethyl)imidazol-2-amine
PubChem CID106577148
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name1-cyclopentyl-N-(thian-2-ylmethyl)imidazol-2-amine
SMILESc1cn(C2CCCC2)c(NCC2CCCCS2)n1
InChIInChI=1S/C14H23N3S/c1-2-6-12(5-1)17-9-8-15-14(17)16-11-13-7-3-4-10-18-13/h8-9,12-13H,1-7,10-11H2,(H,15,16)
InChIKeyDJNJDIMVARCCJI-UHFFFAOYSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576809
1-prop-2-enyl-N-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576782
1-cyclopentyl-N-(2,3-dimethylbutyl)imidazol-2-amine
CID 106575250
1-cyclopentyl-N-(2-cyclopropylethyl)imidazol-2-amine
CID 106575827
1-cyclohexyl-N-(2-cyclopropylethyl)imidazol-2-amine
CID 106575828
1-cyclopentyl-N-(4,4,4-trifluorobutyl)imidazol-2-amine
CID 106579149
1-cyclopentyl-N-(2-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106577815
1-(3-ethoxypropyl)-N-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576791
1-cyclopropyl-N-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560101
1-cyclopentyl-N-(2-piperidin-1-ylethyl)imidazol-2-amine
CID 106565073
1-cyclopentyl-N-(thiophen-2-ylmethyl)imidazol-2-amine
CID 106561409
N-butyl-1-cyclobutylimidazol-2-amine
CID 106571396

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(thian-2-ylmethyl)imidazol-2-amine?
The IUPAC name of 1-cyclopentyl-N-(thian-2-ylmethyl)imidazol-2-amine (CID 106577148) is 1-cyclopentyl-N-(thian-2-ylmethyl)imidazol-2-amine.
What is the SMILES notation for 1-cyclopentyl-N-(thian-2-ylmethyl)imidazol-2-amine?
The canonical SMILES for 1-cyclopentyl-N-(thian-2-ylmethyl)imidazol-2-amine is c1cn(C2CCCC2)c(NCC2CCCCS2)n1.
What is the InChIKey of 1-cyclopentyl-N-(thian-2-ylmethyl)imidazol-2-amine?
The InChIKey is DJNJDIMVARCCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-2-6-12(5-1)17-9-8-15-14(17)16-11-13-7-3-4-10-18-13/h8-9,12-13H,1-7,10-11H2,(H,15,16).
What are the key properties of 1-cyclopentyl-N-(thian-2-ylmethyl)imidazol-2-amine?
1-cyclopentyl-N-(thian-2-ylmethyl)imidazol-2-amine has a molecular weight of 265.43 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(thian-2-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106577148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).