N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine

C12H19ClN2S — CID 104879201

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(NCc2ncc(Cl)s2)C1
InChIInChI=1S/C12H19ClN2S/c1-8-3-9(2)5-10(4-8)14-7-12-15-6-11(13)16-12/h6,8-10,14H,3-5,7H2,1-2H3
InChIKeyIWGDRMGIRSZERL-UHFFFAOYSA-N
MW258.82 g/mol
LogP3.71
Rot. Bonds3

About N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 104879201) has the molecular formula C12H19ClN2S and a molecular weight of 258.82 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID104879201
Molecular FormulaC12H19ClN2S
Molecular Weight258.82 g/mol
Exact Mass258.10
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(NCc2ncc(Cl)s2)C1
InChIInChI=1S/C12H19ClN2S/c1-8-3-9(2)5-10(4-8)14-7-12-15-6-11(13)16-12/h6,8-10,14H,3-5,7H2,1-2H3
InChIKeyIWGDRMGIRSZERL-UHFFFAOYSA-N
XLogP3.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine (CID 104879201) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine is CC1CC(C)CC(NCc2ncc(Cl)s2)C1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is IWGDRMGIRSZERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2S/c1-8-3-9(2)5-10(4-8)14-7-12-15-6-11(13)16-12/h6,8-10,14H,3-5,7H2,1-2H3.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 258.82 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 104879201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).