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

C11H19N3S — CID 79459169

IUPAC1-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine
SMILESCC(NC1CCCC(N)C1)c1nccs1
InChIInChI=1S/C11H19N3S/c1-8(11-13-5-6-15-11)14-10-4-2-3-9(12)7-10/h5-6,8-10,14H,2-4,7,12H2,1H3
InChIKeyUOCGUTIMSZUAOM-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.06
Rot. Bonds3

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

1-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine (PubChem CID 79459169) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine
PubChem CID79459169
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine
SMILESCC(NC1CCCC(N)C1)c1nccs1
InChIInChI=1S/C11H19N3S/c1-8(11-13-5-6-15-11)14-10-4-2-3-9(12)7-10/h5-6,8-10,14H,2-4,7,12H2,1H3
InChIKeyUOCGUTIMSZUAOM-UHFFFAOYSA-N
XLogP2.06
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1,3-diamine
CID 79459168
4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]cycloheptan-1-amine
CID 65090996
N-[1-(1,3-thiazol-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine
CID 130941268
3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 64745635
4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]cyclohexan-1-ol
CID 96824330
2,2,6,6-tetramethyl-N-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 64988734
1-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1,3-diamine
CID 79459404
2-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]acetamide
CID 64992990
N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine
CID 79459271
1-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine
CID 79459154
1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,3-diamine
CID 79458750

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine (CID 79459169) is 1-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine is CC(NC1CCCC(N)C1)c1nccs1.
What is the InChIKey of 1-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine?
The InChIKey is UOCGUTIMSZUAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-8(11-13-5-6-15-11)14-10-4-2-3-9(12)7-10/h5-6,8-10,14H,2-4,7,12H2,1H3.
What are the key properties of 1-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine?
1-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine has a molecular weight of 225.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 79459169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).