N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazol-2-amine

C13H22N2S — CID 63541790

IUPACN-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCCC1CCC(CNc2nc(C)cs2)CC1
InChIInChI=1S/C13H22N2S/c1-3-11-4-6-12(7-5-11)8-14-13-15-10(2)9-16-13/h9,11-12H,3-8H2,1-2H3,(H,14,15)
InChIKeyJDUNFRGKUCZPSH-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.08
Rot. Bonds4

About N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazol-2-amine

N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 63541790) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID63541790
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCCC1CCC(CNc2nc(C)cs2)CC1
InChIInChI=1S/C13H22N2S/c1-3-11-4-6-12(7-5-11)8-14-13-15-10(2)9-16-13/h9,11-12H,3-8H2,1-2H3,(H,14,15)
InChIKeyJDUNFRGKUCZPSH-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazol-2-amine (CID 63541790) is N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazol-2-amine is CCC1CCC(CNc2nc(C)cs2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is JDUNFRGKUCZPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-11-4-6-12(7-5-11)8-14-13-15-10(2)9-16-13/h9,11-12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazol-2-amine?
N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 238.40 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63541790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).