2-(4-cyclohexyl-1,3-thiazol-2-yl)ethanethioamide

C11H16N2S2 — CID 116868749

IUPAC2-(4-cyclohexyl-1,3-thiazol-2-yl)ethanethioamide
SMILESNC(=S)Cc1nc(C2CCCCC2)cs1
InChIInChI=1S/C11H16N2S2/c12-10(14)6-11-13-9(7-15-11)8-4-2-1-3-5-8/h7-8H,1-6H2,(H2,12,14)
InChIKeyRIVNHGLOZAOCOB-UHFFFAOYSA-N
MW240.40 g/mol
LogP3.02
Rot. Bonds3

About 2-(4-cyclohexyl-1,3-thiazol-2-yl)ethanethioamide

2-(4-cyclohexyl-1,3-thiazol-2-yl)ethanethioamide (PubChem CID 116868749) has the molecular formula C11H16N2S2 and a molecular weight of 240.40 g/mol. Its IUPAC name is 2-(4-cyclohexyl-1,3-thiazol-2-yl)ethanethioamide.

Molecular Properties

Compound Name2-(4-cyclohexyl-1,3-thiazol-2-yl)ethanethioamide
PubChem CID116868749
Molecular FormulaC11H16N2S2
Molecular Weight240.40 g/mol
Exact Mass240.08
IUPAC Name2-(4-cyclohexyl-1,3-thiazol-2-yl)ethanethioamide
SMILESNC(=S)Cc1nc(C2CCCCC2)cs1
InChIInChI=1S/C11H16N2S2/c12-10(14)6-11-13-9(7-15-11)8-4-2-1-3-5-8/h7-8H,1-6H2,(H2,12,14)
InChIKeyRIVNHGLOZAOCOB-UHFFFAOYSA-N
XLogP3.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol
CID 116968668
2-(bromomethyl)-4-cyclopentyl-1,3-thiazole
CID 116970375
4-cyclohexyl-2-propyl-1,3-thiazole
CID 130157916
N-buta-2,3-dienyl-2-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide
CID 136559607
2-(3-chloropropyl)-4-cyclobutyl-1,3-thiazole
CID 116968630
2-(2-chloroethyl)-4-cyclobutyl-1,3-thiazole
CID 116965575
4-cyclobutyl-1,3-thiazole-2-carboxamide
CID 116967982
2-amino-2-(4-cyclopentyl-1,3-thiazol-2-yl)ethanol
CID 116966791
3-(4-cyclohexyl-1,3-thiazol-2-yl)-2-(methylamino)propanoic acid
CID 116969836
2-(4-cyclobutyl-1,3-thiazol-2-yl)acetonitrile
CID 116966310
4-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 119886656
[1-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]cyclopropyl]methanamine
CID 116969391

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyl-1,3-thiazol-2-yl)ethanethioamide?
The IUPAC name of 2-(4-cyclohexyl-1,3-thiazol-2-yl)ethanethioamide (CID 116868749) is 2-(4-cyclohexyl-1,3-thiazol-2-yl)ethanethioamide.
What is the SMILES notation for 2-(4-cyclohexyl-1,3-thiazol-2-yl)ethanethioamide?
The canonical SMILES for 2-(4-cyclohexyl-1,3-thiazol-2-yl)ethanethioamide is NC(=S)Cc1nc(C2CCCCC2)cs1.
What is the InChIKey of 2-(4-cyclohexyl-1,3-thiazol-2-yl)ethanethioamide?
The InChIKey is RIVNHGLOZAOCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S2/c12-10(14)6-11-13-9(7-15-11)8-4-2-1-3-5-8/h7-8H,1-6H2,(H2,12,14).
What are the key properties of 2-(4-cyclohexyl-1,3-thiazol-2-yl)ethanethioamide?
2-(4-cyclohexyl-1,3-thiazol-2-yl)ethanethioamide has a molecular weight of 240.40 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyl-1,3-thiazol-2-yl)ethanethioamide is sourced from PubChem (CID 116868749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).