[2-(cyclohexylamino)-1,3-thiazol-5-yl] thiocyanate

C10H13N3S2 — CID 842043

IUPAC[2-(cyclohexylamino)-1,3-thiazol-5-yl] thiocyanate
SMILESN#CSc1cnc(NC2CCCCC2)s1
InChIInChI=1S/C10H13N3S2/c11-7-14-9-6-12-10(15-9)13-8-4-2-1-3-5-8/h6,8H,1-5H2,(H,12,13)
InChIKeyGKTKKZVFCLAHQX-UHFFFAOYSA-N
MW239.37 g/mol
LogP3.46
Rot. Bonds3

About [2-(cyclohexylamino)-1,3-thiazol-5-yl] thiocyanate

[2-(cyclohexylamino)-1,3-thiazol-5-yl] thiocyanate (PubChem CID 842043) has the molecular formula C10H13N3S2 and a molecular weight of 239.37 g/mol. Its IUPAC name is [2-(cyclohexylamino)-1,3-thiazol-5-yl] thiocyanate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-1,3-thiazol-5-yl] thiocyanate
PubChem CID842043
Molecular FormulaC10H13N3S2
Molecular Weight239.37 g/mol
Exact Mass239.06
IUPAC Name[2-(cyclohexylamino)-1,3-thiazol-5-yl] thiocyanate
SMILESN#CSc1cnc(NC2CCCCC2)s1
InChIInChI=1S/C10H13N3S2/c11-7-14-9-6-12-10(15-9)13-8-4-2-1-3-5-8/h6,8H,1-5H2,(H,12,13)
InChIKeyGKTKKZVFCLAHQX-UHFFFAOYSA-N
XLogP3.46
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

Cyclohexyl-thiazol-2-yl-amine
CID 842041
N-(1,3-thiazol-2-yl)piperidin-4-amine
CID 43345808
1-Cyclohexyl-3-(1,3-thiazol-2-yl)thiourea
CID 4581435
5-bromo-N-(4-fluorocyclohexyl)-1,3-thiazol-2-amine
CID 130637848
5-bromo-N-[(1S,2R)-2-fluorocyclopentyl]-1,3-thiazol-2-amine
CID 130690760
N-[(1R,2R)-2-fluorocyclohexyl]-5-methyl-1,3-thiazol-2-amine
CID 130719406
5-bromo-N-[(1R,2S)-2-fluorocyclopentyl]-1,3-thiazol-2-amine
CID 130992279
5-bromo-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-2-amine
CID 131086415
N-cyclohexyl-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133521943
[2-(Propan-2-ylamino)-1,3-thiazol-5-yl] thiocyanate
CID 18988324
N-cyclopentyl-1,3-thiazol-2-amine
CID 28552307
N-pentan-2-yl-1,3-thiazol-2-amine
CID 43099051

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-1,3-thiazol-5-yl] thiocyanate?
The IUPAC name of [2-(cyclohexylamino)-1,3-thiazol-5-yl] thiocyanate (CID 842043) is [2-(cyclohexylamino)-1,3-thiazol-5-yl] thiocyanate.
What is the SMILES notation for [2-(cyclohexylamino)-1,3-thiazol-5-yl] thiocyanate?
The canonical SMILES for [2-(cyclohexylamino)-1,3-thiazol-5-yl] thiocyanate is N#CSc1cnc(NC2CCCCC2)s1.
What is the InChIKey of [2-(cyclohexylamino)-1,3-thiazol-5-yl] thiocyanate?
The InChIKey is GKTKKZVFCLAHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S2/c11-7-14-9-6-12-10(15-9)13-8-4-2-1-3-5-8/h6,8H,1-5H2,(H,12,13).
What are the key properties of [2-(cyclohexylamino)-1,3-thiazol-5-yl] thiocyanate?
[2-(cyclohexylamino)-1,3-thiazol-5-yl] thiocyanate has a molecular weight of 239.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-1,3-thiazol-5-yl] thiocyanate is sourced from PubChem (CID 842043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).