N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine

C15H22N4S — CID 63752764

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine
SMILESCc1nc(C)c(C(C)NC2CCCC2n2ccnc2)s1
InChIInChI=1S/C15H22N4S/c1-10-15(20-12(3)17-10)11(2)18-13-5-4-6-14(13)19-8-7-16-9-19/h7-9,11,13-14,18H,4-6H2,1-3H3
InChIKeyAUAQQEAWHIJCDL-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.40
Rot. Bonds4

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine (PubChem CID 63752764) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine
PubChem CID63752764
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine
SMILESCc1nc(C)c(C(C)NC2CCCC2n2ccnc2)s1
InChIInChI=1S/C15H22N4S/c1-10-15(20-12(3)17-10)11(2)18-13-5-4-6-14(13)19-8-7-16-9-19/h7-9,11,13-14,18H,4-6H2,1-3H3
InChIKeyAUAQQEAWHIJCDL-UHFFFAOYSA-N
XLogP3.40
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine (CID 63752764) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine is Cc1nc(C)c(C(C)NC2CCCC2n2ccnc2)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine?
The InChIKey is AUAQQEAWHIJCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-10-15(20-12(3)17-10)11(2)18-13-5-4-6-14(13)19-8-7-16-9-19/h7-9,11,13-14,18H,4-6H2,1-3H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine has a molecular weight of 290.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine is sourced from PubChem (CID 63752764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).