3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1,3-diamine

C11H19N3S — CID 106039550

IUPAC3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1,3-diamine
SMILESCc1nc(CCNC2CCC(N)C2)cs1
InChIInChI=1S/C11H19N3S/c1-8-14-11(7-15-8)4-5-13-10-3-2-9(12)6-10/h7,9-10,13H,2-6,12H2,1H3
InChIKeyNMMIDJHCZLUYLN-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.46
Rot. Bonds4

About 3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1,3-diamine

3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1,3-diamine (PubChem CID 106039550) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1,3-diamine
PubChem CID106039550
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1,3-diamine
SMILESCc1nc(CCNC2CCC(N)C2)cs1
InChIInChI=1S/C11H19N3S/c1-8-14-11(7-15-8)4-5-13-10-3-2-9(12)6-10/h7,9-10,13H,2-6,12H2,1H3
InChIKeyNMMIDJHCZLUYLN-UHFFFAOYSA-N
XLogP1.46
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxan-4-amine
CID 103910333
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol
CID 106045358
4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 83262106
8-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 106039600
N-[5-(2-methyl-1,3-thiazol-4-yl)pent-3-enyl]cyclopropanamine
CID 79590603
1-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexane-1,3-diamine
CID 79458882
tert-butyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103748044
4-[2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]ethyl]-2-methyl-1,3-thiazole
CID 106094989
1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1,3-diamine
CID 80562480
N-[(3-methylcyclohexyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103883909
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 71916244
N-[2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
CID 107925898

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1,3-diamine?
The IUPAC name of 3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1,3-diamine (CID 106039550) is 3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1,3-diamine is Cc1nc(CCNC2CCC(N)C2)cs1.
What is the InChIKey of 3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1,3-diamine?
The InChIKey is NMMIDJHCZLUYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-8-14-11(7-15-8)4-5-13-10-3-2-9(12)6-10/h7,9-10,13H,2-6,12H2,1H3.
What are the key properties of 3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1,3-diamine?
3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1,3-diamine has a molecular weight of 225.36 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 106039550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).