1-methyl-1-(4-phenylcyclohexyl)-3-(1,3,4-thiadiazol-2-yl)urea

C16H20N4OS — CID 75363597

IUPAC1-methyl-1-(4-phenylcyclohexyl)-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCN(C(=O)Nc1nncs1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C16H20N4OS/c1-20(16(21)18-15-19-17-11-22-15)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3,(H,18,19,21)
InChIKeyBRDJIOGXHIKQII-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.73
Rot. Bonds3

About 1-methyl-1-(4-phenylcyclohexyl)-3-(1,3,4-thiadiazol-2-yl)urea

1-methyl-1-(4-phenylcyclohexyl)-3-(1,3,4-thiadiazol-2-yl)urea (PubChem CID 75363597) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-methyl-1-(4-phenylcyclohexyl)-3-(1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-methyl-1-(4-phenylcyclohexyl)-3-(1,3,4-thiadiazol-2-yl)urea
PubChem CID75363597
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name1-methyl-1-(4-phenylcyclohexyl)-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCN(C(=O)Nc1nncs1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C16H20N4OS/c1-20(16(21)18-15-19-17-11-22-15)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3,(H,18,19,21)
InChIKeyBRDJIOGXHIKQII-UHFFFAOYSA-N
XLogP3.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(4-phenylcyclohexyl)-3-(1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-methyl-1-(4-phenylcyclohexyl)-3-(1,3,4-thiadiazol-2-yl)urea (CID 75363597) is 1-methyl-1-(4-phenylcyclohexyl)-3-(1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-methyl-1-(4-phenylcyclohexyl)-3-(1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-methyl-1-(4-phenylcyclohexyl)-3-(1,3,4-thiadiazol-2-yl)urea is CN(C(=O)Nc1nncs1)C1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-methyl-1-(4-phenylcyclohexyl)-3-(1,3,4-thiadiazol-2-yl)urea?
The InChIKey is BRDJIOGXHIKQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-20(16(21)18-15-19-17-11-22-15)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3,(H,18,19,21).
What are the key properties of 1-methyl-1-(4-phenylcyclohexyl)-3-(1,3,4-thiadiazol-2-yl)urea?
1-methyl-1-(4-phenylcyclohexyl)-3-(1,3,4-thiadiazol-2-yl)urea has a molecular weight of 316.43 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(4-phenylcyclohexyl)-3-(1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 75363597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).