N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine

C12H21N3S — CID 63240568

IUPACN'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
SMILESc1csc(CCNCCNC2CCCC2)n1
InChIInChI=1S/C12H21N3S/c1-2-4-11(3-1)14-8-7-13-6-5-12-15-9-10-16-12/h9-11,13-14H,1-8H2
InChIKeyFAOGDRCCALXLEB-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.81
Rot. Bonds7

About N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine

N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine (PubChem CID 63240568) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
PubChem CID63240568
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
SMILESc1csc(CCNCCNC2CCCC2)n1
InChIInChI=1S/C12H21N3S/c1-2-4-11(3-1)14-8-7-13-6-5-12-15-9-10-16-12/h9-11,13-14H,1-8H2
InChIKeyFAOGDRCCALXLEB-UHFFFAOYSA-N
XLogP1.81
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]azepan-4-amine
CID 65075080
N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240886
1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine
CID 79459271
3,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 64745631
1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea
CID 116508515
4-(2-methylbutan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 63242595
N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
CID 23423562
3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 103561913
N-cyclopropyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine
CID 62663409
N-[4-(1,3-thiazol-2-yl)butyl]thietan-3-amine
CID 170898385
1-cyclobutyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 115618022
N-[(3-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 107069255

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine (CID 63240568) is N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine is c1csc(CCNCCNC2CCCC2)n1.
What is the InChIKey of N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine?
The InChIKey is FAOGDRCCALXLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-2-4-11(3-1)14-8-7-13-6-5-12-15-9-10-16-12/h9-11,13-14H,1-8H2.
What are the key properties of N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine?
N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine has a molecular weight of 239.39 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 63240568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).