1-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]cyclopentan-1-amine

C14H25N3S — CID 64677694

IUPAC1-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]cyclopentan-1-amine
SMILESCc1nc(C)c(C(C)NCCC2(N)CCCC2)s1
InChIInChI=1S/C14H25N3S/c1-10(13-11(2)17-12(3)18-13)16-9-8-14(15)6-4-5-7-14/h10,16H,4-9,15H2,1-3H3
InChIKeyIJYHUQVTFZMPAR-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.07
Rot. Bonds5

About 1-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]cyclopentan-1-amine

1-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]cyclopentan-1-amine (PubChem CID 64677694) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]cyclopentan-1-amine
PubChem CID64677694
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name1-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]cyclopentan-1-amine
SMILESCc1nc(C)c(C(C)NCCC2(N)CCCC2)s1
InChIInChI=1S/C14H25N3S/c1-10(13-11(2)17-12(3)18-13)16-9-8-14(15)6-4-5-7-14/h10,16H,4-9,15H2,1-3H3
InChIKeyIJYHUQVTFZMPAR-UHFFFAOYSA-N
XLogP3.07
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]cyclopentan-1-amine?
The IUPAC name of 1-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]cyclopentan-1-amine (CID 64677694) is 1-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]cyclopentan-1-amine is Cc1nc(C)c(C(C)NCCC2(N)CCCC2)s1.
What is the InChIKey of 1-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]cyclopentan-1-amine?
The InChIKey is IJYHUQVTFZMPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-10(13-11(2)17-12(3)18-13)16-9-8-14(15)6-4-5-7-14/h10,16H,4-9,15H2,1-3H3.
What are the key properties of 1-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]cyclopentan-1-amine?
1-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]cyclopentan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]cyclopentan-1-amine is sourced from PubChem (CID 64677694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).