1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine

C11H19N3S — CID 79459271

IUPAC1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine
SMILESNC1CCCC(NCCc2nccs2)C1
InChIInChI=1S/C11H19N3S/c12-9-2-1-3-10(8-9)13-5-4-11-14-6-7-15-11/h6-7,9-10,13H,1-5,8,12H2
InChIKeyMNWLDOWCVVUMAQ-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.55
Rot. Bonds4

About 1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine

1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine (PubChem CID 79459271) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine
PubChem CID79459271
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine
SMILESNC1CCCC(NCCc2nccs2)C1
InChIInChI=1S/C11H19N3S/c12-9-2-1-3-10(8-9)13-5-4-11-14-6-7-15-11/h6-7,9-10,13H,1-5,8,12H2
InChIKeyMNWLDOWCVVUMAQ-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79824744
3-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1,3-diamine
CID 79462024
3,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 64745631
N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240568
3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 103561913
1-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexane-1,3-diamine
CID 79458882
1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]azepan-4-amine
CID 65075080
1-N-(2-phenylethyl)cyclohexane-1,3-diamine
CID 79459302
1-cyclobutyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 115618022
4-(2-methylbutan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 63242595
3-(4-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 63242564
3-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 60961816

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine (CID 79459271) is 1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine is NC1CCCC(NCCc2nccs2)C1.
What is the InChIKey of 1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine?
The InChIKey is MNWLDOWCVVUMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c12-9-2-1-3-10(8-9)13-5-4-11-14-6-7-15-11/h6-7,9-10,13H,1-5,8,12H2.
What are the key properties of 1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine?
1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine has a molecular weight of 225.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 79459271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).