2-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1,2-diamine

C10H17N3S — CID 71644176

IUPAC2-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1,2-diamine
SMILESNC1CCCCC1NCc1cncs1
InChIInChI=1S/C10H17N3S/c11-9-3-1-2-4-10(9)13-6-8-5-12-7-14-8/h5,7,9-10,13H,1-4,6,11H2
InChIKeyLHGLULYPUPRVBK-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.50
Rot. Bonds3

About 2-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1,2-diamine

2-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1,2-diamine (PubChem CID 71644176) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1,2-diamine
PubChem CID71644176
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1,2-diamine
SMILESNC1CCCCC1NCc1cncs1
InChIInChI=1S/C10H17N3S/c11-9-3-1-2-4-10(9)13-6-8-5-12-7-14-8/h5,7,9-10,13H,1-4,6,11H2
InChIKeyLHGLULYPUPRVBK-UHFFFAOYSA-N
XLogP1.50
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-thiazol-5-ylmethylamino)cyclohexan-1-ol
CID 62758912
2-ethyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 115732788
2-methoxy-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
CID 115732649
(2R,3R)-2-methyl-N-(1,3-thiazol-5-ylmethyl)oxolan-3-amine
CID 130933670
cis-(1R,2S)-2-N-(pyrazin-2-ylmethyl)cyclohexane-1,2-diamine
CID 97168885
trans-(1S,2S)-2-N-[[4-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenyl]methyl]cyclohexane-1,2-diamine;tetrahydrochloride
CID 139241263
1-(2-aminocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 116579911
2-(1,3-thiazol-5-ylmethyl)cyclobutan-1-amine
CID 112645527
(3S)-N-(1,3-thiazol-5-ylmethyl)oxan-3-amine
CID 130891979
2,4,4-trimethyl-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
CID 115732727
2-methylidene-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine
CID 163653305
1-(2-chlorocyclohexyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 112644380

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1,2-diamine (CID 71644176) is 2-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1,2-diamine is NC1CCCCC1NCc1cncs1.
What is the InChIKey of 2-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1,2-diamine?
The InChIKey is LHGLULYPUPRVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c11-9-3-1-2-4-10(9)13-6-8-5-12-7-14-8/h5,7,9-10,13H,1-4,6,11H2.
What are the key properties of 2-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1,2-diamine?
2-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1,2-diamine has a molecular weight of 211.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 71644176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).