1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1,3-diamine

C11H19N3S — CID 79459261

IUPAC1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1,3-diamine
SMILESCc1ncc(CNC2CCCC(N)C2)s1
InChIInChI=1S/C11H19N3S/c1-8-13-6-11(15-8)7-14-10-4-2-3-9(12)5-10/h6,9-10,14H,2-5,7,12H2,1H3
InChIKeyXZJVRBZQODGJKE-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.81
Rot. Bonds3

About 1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1,3-diamine

1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1,3-diamine (PubChem CID 79459261) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1,3-diamine
PubChem CID79459261
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1,3-diamine
SMILESCc1ncc(CNC2CCCC(N)C2)s1
InChIInChI=1S/C11H19N3S/c1-8-13-6-11(15-8)7-14-10-4-2-3-9(12)5-10/h6,9-10,14H,2-5,7,12H2,1H3
InChIKeyXZJVRBZQODGJKE-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1,3-diamine (CID 79459261) is 1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1,3-diamine is Cc1ncc(CNC2CCCC(N)C2)s1.
What is the InChIKey of 1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1,3-diamine?
The InChIKey is XZJVRBZQODGJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-8-13-6-11(15-8)7-14-10-4-2-3-9(12)5-10/h6,9-10,14H,2-5,7,12H2,1H3.
What are the key properties of 1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1,3-diamine?
1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1,3-diamine has a molecular weight of 225.36 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 79459261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).