4-N-ethyl-4-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine

C12H21N3S — CID 79112426

IUPAC4-N-ethyl-4-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine
SMILESCCN(c1nc(C)cs1)C1CCC(N)CC1
InChIInChI=1S/C12H21N3S/c1-3-15(12-14-9(2)8-16-12)11-6-4-10(13)5-7-11/h8,10-11H,3-7,13H2,1-2H3
InChIKeyLNGLACRDLYHJSG-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.55
Rot. Bonds3

About 4-N-ethyl-4-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine

4-N-ethyl-4-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine (PubChem CID 79112426) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine
PubChem CID79112426
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name4-N-ethyl-4-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine
SMILESCCN(c1nc(C)cs1)C1CCC(N)CC1
InChIInChI=1S/C12H21N3S/c1-3-15(12-14-9(2)8-16-12)11-6-4-10(13)5-7-11/h8,10-11H,3-7,13H2,1-2H3
InChIKeyLNGLACRDLYHJSG-UHFFFAOYSA-N
XLogP2.55
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-ethyl-4-N-(4-ethyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine
CID 79112132
N-cyclopropyl-4-methyl-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine
CID 79719436
4-(1-aminoethyl)-N-cyclopropyl-N-ethyl-1,3-thiazol-2-amine
CID 64543335
N'-cyclobutyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 102874488
N-(2-chloroethyl)-N-cyclohexyl-4-methyl-1,3-thiazol-2-amine
CID 63388279
4-N-(2,6-dimethylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine
CID 79112273
4-(1-aminoethyl)-N-cyclohexyl-N-ethyl-1,3-thiazol-2-amine
CID 64544532
4-N-ethyl-4-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,4-diamine
CID 114449952
methyl 5-[(4-aminocyclohexyl)-ethylamino]-4-methylthiophene-3-carboxylate
CID 126623935
2-[(4-aminocyclohexyl)-ethylamino]-6-methylpyridine-4-carbonitrile
CID 114770148
2-[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone
CID 62756542
N-(4-tert-butylcyclohexyl)-N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]acetamide
CID 59542756

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine (CID 79112426) is 4-N-ethyl-4-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine is CCN(c1nc(C)cs1)C1CCC(N)CC1.
What is the InChIKey of 4-N-ethyl-4-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine?
The InChIKey is LNGLACRDLYHJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-15(12-14-9(2)8-16-12)11-6-4-10(13)5-7-11/h8,10-11H,3-7,13H2,1-2H3.
What are the key properties of 4-N-ethyl-4-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine?
4-N-ethyl-4-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine has a molecular weight of 239.39 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79112426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).