N-cyclopentyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine

C13H18N4S — CID 106571890

IUPACN-cyclopentyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine
SMILESc1csc(CCn2ccnc2NC2CCCC2)n1
InChIInChI=1S/C13H18N4S/c1-2-4-11(3-1)16-13-15-6-9-17(13)8-5-12-14-7-10-18-12/h6-7,9-11H,1-5,8H2,(H,15,16)
InChIKeyOOQSBTHWZOILPQ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.94
Rot. Bonds5

About N-cyclopentyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine

N-cyclopentyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine (PubChem CID 106571890) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-cyclopentyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine
PubChem CID106571890
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-cyclopentyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine
SMILESc1csc(CCn2ccnc2NC2CCCC2)n1
InChIInChI=1S/C13H18N4S/c1-2-4-11(3-1)16-13-15-6-9-17(13)8-5-12-14-7-10-18-12/h6-7,9-11H,1-5,8H2,(H,15,16)
InChIKeyOOQSBTHWZOILPQ-UHFFFAOYSA-N
XLogP2.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
CID 106577191
N-cyclopentyl-1-(2-pyridin-2-ylethyl)imidazol-2-amine
CID 106554398
N-cyclohexyl-1-(cyclohexylmethyl)imidazol-2-amine
CID 106561648
1-[2-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine
CID 106568112
N-cyclohexyl-1-[2-(2-methylphenyl)ethyl]imidazol-2-amine
CID 106576525
N-cyclopentyl-1-[2-(3-fluorophenyl)ethyl]imidazol-2-amine
CID 106562507
1-propyl-N-(thian-4-yl)imidazol-2-amine
CID 106582117
N-cyclopentyl-1-(thiophen-3-ylmethyl)imidazol-2-amine
CID 106571939
N-cyclohexyl-1-(2,2-dimethylpropyl)imidazol-2-amine
CID 106563673
N-cyclopropyl-1-pentylimidazol-2-amine
CID 106556933
N-cyclohexyl-1-(4-imidazol-1-ylbutyl)imidazol-2-amine
CID 106565971
N-cyclohexyl-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574374

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine?
The IUPAC name of N-cyclopentyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine (CID 106571890) is N-cyclopentyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine.
What is the SMILES notation for N-cyclopentyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine?
The canonical SMILES for N-cyclopentyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine is c1csc(CCn2ccnc2NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine?
The InChIKey is OOQSBTHWZOILPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-2-4-11(3-1)16-13-15-6-9-17(13)8-5-12-14-7-10-18-12/h6-7,9-11H,1-5,8H2,(H,15,16).
What are the key properties of N-cyclopentyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine?
N-cyclopentyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine has a molecular weight of 262.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106571890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).