4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-N-methylcyclohexane-1,4-diamine

C12H21N3S — CID 79115372

IUPAC4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-N-methylcyclohexane-1,4-diamine
SMILESCc1nc(N(C)C2CCC(N)CC2)sc1C
InChIInChI=1S/C12H21N3S/c1-8-9(2)16-12(14-8)15(3)11-6-4-10(13)5-7-11/h10-11H,4-7,13H2,1-3H3
InChIKeyGUVXXJXXEDCYCB-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.47
Rot. Bonds2

About 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-N-methylcyclohexane-1,4-diamine

4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-N-methylcyclohexane-1,4-diamine (PubChem CID 79115372) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-N-methylcyclohexane-1,4-diamine
PubChem CID79115372
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-N-methylcyclohexane-1,4-diamine
SMILESCc1nc(N(C)C2CCC(N)CC2)sc1C
InChIInChI=1S/C12H21N3S/c1-8-9(2)16-12(14-8)15(3)11-6-4-10(13)5-7-11/h10-11H,4-7,13H2,1-3H3
InChIKeyGUVXXJXXEDCYCB-UHFFFAOYSA-N
XLogP2.47
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-N-methylcyclohexane-1,4-diamine (CID 79115372) is 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-N-methylcyclohexane-1,4-diamine is Cc1nc(N(C)C2CCC(N)CC2)sc1C.
What is the InChIKey of 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is GUVXXJXXEDCYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-8-9(2)16-12(14-8)15(3)11-6-4-10(13)5-7-11/h10-11H,4-7,13H2,1-3H3.
What are the key properties of 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-N-methylcyclohexane-1,4-diamine?
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 239.39 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 79115372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).