4-benzyl-N-(4-ethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine

C18H26N2S — CID 63261659

IUPAC4-benzyl-N-(4-ethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CCC(NC2=NC(Cc3ccccc3)CS2)CC1
InChIInChI=1S/C18H26N2S/c1-2-14-8-10-16(11-9-14)19-18-20-17(13-21-18)12-15-6-4-3-5-7-15/h3-7,14,16-17H,2,8-13H2,1H3,(H,19,20)
InChIKeyWKGPWNPQBVMAOP-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.26
Rot. Bonds4

About 4-benzyl-N-(4-ethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine

4-benzyl-N-(4-ethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63261659) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 4-benzyl-N-(4-ethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-benzyl-N-(4-ethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63261659
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name4-benzyl-N-(4-ethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CCC(NC2=NC(Cc3ccccc3)CS2)CC1
InChIInChI=1S/C18H26N2S/c1-2-14-8-10-16(11-9-14)19-18-20-17(13-21-18)12-15-6-4-3-5-7-15/h3-7,14,16-17H,2,8-13H2,1H3,(H,19,20)
InChIKeyWKGPWNPQBVMAOP-UHFFFAOYSA-N
XLogP4.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-N-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63261342
4-benzyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261612
4-ethyl-N-(4-ethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 113495991
4-benzyl-N-tert-butyl-4,5-dihydro-1,3-thiazol-2-amine
CID 55169774
N-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107853215
4-benzyl-N-(3-ethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261096
4-benzyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261477
4-benzyl-N-hexan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 63261356
4-ethyl-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43610489
N-cyclopropyl-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63183229
4-benzyl-N-(2,4-dimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261345
2-[(4-benzyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
CID 63261225

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(4-ethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-benzyl-N-(4-ethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 63261659) is 4-benzyl-N-(4-ethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-benzyl-N-(4-ethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-benzyl-N-(4-ethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine is CCC1CCC(NC2=NC(Cc3ccccc3)CS2)CC1.
What is the InChIKey of 4-benzyl-N-(4-ethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is WKGPWNPQBVMAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-2-14-8-10-16(11-9-14)19-18-20-17(13-21-18)12-15-6-4-3-5-7-15/h3-7,14,16-17H,2,8-13H2,1H3,(H,19,20).
What are the key properties of 4-benzyl-N-(4-ethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine?
4-benzyl-N-(4-ethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 302.49 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(4-ethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63261659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).