1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiourea

C11H17N3OS2 — CID 106380576

IUPAC1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiourea
SMILESO=c1[nH]c(CNC(=S)NC2CCCCC2)cs1
InChIInChI=1S/C11H17N3OS2/c15-11-14-9(7-17-11)6-12-10(16)13-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,14,15)(H2,12,13,16)
InChIKeyVQOWGFHFDKWMRD-UHFFFAOYSA-N
MW271.41 g/mol
LogP1.73
Rot. Bonds3

About 1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiourea

1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiourea (PubChem CID 106380576) has the molecular formula C11H17N3OS2 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiourea
PubChem CID106380576
Molecular FormulaC11H17N3OS2
Molecular Weight271.41 g/mol
Exact Mass271.08
IUPAC Name1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiourea
SMILESO=c1[nH]c(CNC(=S)NC2CCCCC2)cs1
InChIInChI=1S/C11H17N3OS2/c15-11-14-9(7-17-11)6-12-10(16)13-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,14,15)(H2,12,13,16)
InChIKeyVQOWGFHFDKWMRD-UHFFFAOYSA-N
XLogP1.73
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetamide
CID 106380797
1-cyclohexyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]guanidine
CID 114181521
1-cyclohexyl-3-[(4-methylthiophen-3-yl)methyl]thiourea
CID 116509457
4-[[2-(cyclopropylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381713
1-[(4-chlorophenyl)methyl]-3-cyclododecylthiourea
CID 19652517
1-[(4-chlorophenyl)methyl]-3-cyclooctylthiourea
CID 19650547
4-[[(4-ethylcycloheptyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181296
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 106381324
1-cyclopentyl-3-(pyridin-2-ylmethyl)thiourea
CID 19686556
4-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380194
4-[[(3-aminocyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381856
1-cyclohexyl-3-[[2-(trifluoromethyl)phenyl]methyl]thiourea
CID 115596868

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiourea (CID 106380576) is 1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiourea is O=c1[nH]c(CNC(=S)NC2CCCCC2)cs1.
What is the InChIKey of 1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiourea?
The InChIKey is VQOWGFHFDKWMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS2/c15-11-14-9(7-17-11)6-12-10(16)13-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,14,15)(H2,12,13,16).
What are the key properties of 1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiourea?
1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiourea has a molecular weight of 271.41 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiourea is sourced from PubChem (CID 106380576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).