1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methylphenyl)urea

C16H20N4OS — CID 35524324

IUPAC1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C16H20N4OS/c1-11-7-5-6-10-13(11)17-15(21)18-16-20-19-14(22-16)12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3,(H2,17,18,20,21)
InChIKeyGSDJFOBHNIJGRI-UHFFFAOYSA-N
MW316.43 g/mol
LogP4.54
Rot. Bonds3

About 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methylphenyl)urea

1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methylphenyl)urea (PubChem CID 35524324) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methylphenyl)urea
PubChem CID35524324
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C16H20N4OS/c1-11-7-5-6-10-13(11)17-15(21)18-16-20-19-14(22-16)12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3,(H2,17,18,20,21)
InChIKeyGSDJFOBHNIJGRI-UHFFFAOYSA-N
XLogP4.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2,4-difluorophenyl)urea
CID 39891630
1-(3-chlorophenyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)urea
CID 734405
N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-propan-2-ylphenyl)butanediamide
CID 1409643
1-(4-chlorophenyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)urea
CID 808855
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 1035124
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 27297044
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 27297734
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide
CID 8503017
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(2,3-dimethylphenoxy)butanamide
CID 19191037
N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(4-methylphenyl)butanediamide
CID 1402158
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-piperidin-1-ylacetamide
CID 46952064
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
CID 46952070

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methylphenyl)urea?
The IUPAC name of 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methylphenyl)urea (CID 35524324) is 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methylphenyl)urea?
The canonical SMILES for 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)Nc1nnc(C2CCCCC2)s1.
What is the InChIKey of 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methylphenyl)urea?
The InChIKey is GSDJFOBHNIJGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-11-7-5-6-10-13(11)17-15(21)18-16-20-19-14(22-16)12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3,(H2,17,18,20,21).
What are the key properties of 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methylphenyl)urea?
1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methylphenyl)urea has a molecular weight of 316.43 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methylphenyl)urea is sourced from PubChem (CID 35524324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).