2-cyclohexyl-4-cyclopropyl-1,3-thiazole-5-carbothioamide

C13H18N2S2 — CID 82437042

IUPAC2-cyclohexyl-4-cyclopropyl-1,3-thiazole-5-carbothioamide
SMILESNC(=S)c1sc(C2CCCCC2)nc1C1CC1
InChIInChI=1S/C13H18N2S2/c14-12(16)11-10(8-6-7-8)15-13(17-11)9-4-2-1-3-5-9/h8-9H,1-7H2,(H2,14,16)
InChIKeySWNMEGQNMWJPKF-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.70
Rot. Bonds3

About 2-cyclohexyl-4-cyclopropyl-1,3-thiazole-5-carbothioamide

2-cyclohexyl-4-cyclopropyl-1,3-thiazole-5-carbothioamide (PubChem CID 82437042) has the molecular formula C13H18N2S2 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-cyclohexyl-4-cyclopropyl-1,3-thiazole-5-carbothioamide.

Molecular Properties

Compound Name2-cyclohexyl-4-cyclopropyl-1,3-thiazole-5-carbothioamide
PubChem CID82437042
Molecular FormulaC13H18N2S2
Molecular Weight266.43 g/mol
Exact Mass266.09
IUPAC Name2-cyclohexyl-4-cyclopropyl-1,3-thiazole-5-carbothioamide
SMILESNC(=S)c1sc(C2CCCCC2)nc1C1CC1
InChIInChI=1S/C13H18N2S2/c14-12(16)11-10(8-6-7-8)15-13(17-11)9-4-2-1-3-5-9/h8-9H,1-7H2,(H2,14,16)
InChIKeySWNMEGQNMWJPKF-UHFFFAOYSA-N
XLogP3.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.70
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

2-cyclopentyl-4-cyclopropyl-1,3-thiazol-5-amine
CID 62077032
2,4-dicyclopropyl-1,3-thiazole-5-carboximidamide
CID 82436892
2-(2-cyclohexyl-4-cyclopropyl-1,3-thiazol-5-yl)propan-2-amine
CID 82437050
4-tert-butyl-2-cyclopropyl-1,3-thiazole-5-carbothioamide
CID 82438944
4-cyclopropyl-2-(dimethylamino)-1,3-thiazole-5-carbothioamide
CID 82437944
2-cyclopropyl-4-(methoxymethyl)-1,3-thiazole-5-carbothioamide
CID 82440824
N-[(2-cycloheptyl-4-cyclopropyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 114367140
4-cyclopropyl-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide
CID 82435946
2-cyclooctyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 80610124
2-(4-tert-butylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114360204
2-cyclopentyl-4-(thian-3-yl)-1,3-thiazol-5-amine
CID 114283153
1-(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)ethanone
CID 82432421

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-cyclopropyl-1,3-thiazole-5-carbothioamide?
The IUPAC name of 2-cyclohexyl-4-cyclopropyl-1,3-thiazole-5-carbothioamide (CID 82437042) is 2-cyclohexyl-4-cyclopropyl-1,3-thiazole-5-carbothioamide.
What is the SMILES notation for 2-cyclohexyl-4-cyclopropyl-1,3-thiazole-5-carbothioamide?
The canonical SMILES for 2-cyclohexyl-4-cyclopropyl-1,3-thiazole-5-carbothioamide is NC(=S)c1sc(C2CCCCC2)nc1C1CC1.
What is the InChIKey of 2-cyclohexyl-4-cyclopropyl-1,3-thiazole-5-carbothioamide?
The InChIKey is SWNMEGQNMWJPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S2/c14-12(16)11-10(8-6-7-8)15-13(17-11)9-4-2-1-3-5-9/h8-9H,1-7H2,(H2,14,16).
What are the key properties of 2-cyclohexyl-4-cyclopropyl-1,3-thiazole-5-carbothioamide?
2-cyclohexyl-4-cyclopropyl-1,3-thiazole-5-carbothioamide has a molecular weight of 266.43 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-cyclopropyl-1,3-thiazole-5-carbothioamide is sourced from PubChem (CID 82437042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).