N'-cyclopentyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylethane-1,2-diamine

C15H27N3S — CID 63315017

IUPACN'-cyclopentyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylethane-1,2-diamine
SMILESCc1nc(C(C)NCCN(C)C2CCCC2)c(C)s1
InChIInChI=1S/C15H27N3S/c1-11(15-12(2)19-13(3)17-15)16-9-10-18(4)14-7-5-6-8-14/h11,14,16H,5-10H2,1-4H3
InChIKeyRFAPMFAOJOVYOJ-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.28
Rot. Bonds6

About N'-cyclopentyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylethane-1,2-diamine

N'-cyclopentyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylethane-1,2-diamine (PubChem CID 63315017) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N'-cyclopentyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylethane-1,2-diamine
PubChem CID63315017
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN'-cyclopentyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylethane-1,2-diamine
SMILESCc1nc(C(C)NCCN(C)C2CCCC2)c(C)s1
InChIInChI=1S/C15H27N3S/c1-11(15-12(2)19-13(3)17-15)16-9-10-18(4)14-7-5-6-8-14/h11,14,16H,5-10H2,1-4H3
InChIKeyRFAPMFAOJOVYOJ-UHFFFAOYSA-N
XLogP3.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylethane-1,2-diamine (CID 63315017) is N'-cyclopentyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylethane-1,2-diamine is Cc1nc(C(C)NCCN(C)C2CCCC2)c(C)s1.
What is the InChIKey of N'-cyclopentyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is RFAPMFAOJOVYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-11(15-12(2)19-13(3)17-15)16-9-10-18(4)14-7-5-6-8-14/h11,14,16H,5-10H2,1-4H3.
What are the key properties of N'-cyclopentyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylethane-1,2-diamine?
N'-cyclopentyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 281.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63315017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).