1-(2-methylcyclohexyl)-3-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]urea

C15H24N4O2S — CID 128635933

IUPAC1-(2-methylcyclohexyl)-3-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]urea
SMILESCC1CCCCC1NC(=O)Nc1nnc(C2CCOCC2)s1
InChIInChI=1S/C15H24N4O2S/c1-10-4-2-3-5-12(10)16-14(20)17-15-19-18-13(22-15)11-6-8-21-9-7-11/h10-12H,2-9H2,1H3,(H2,16,17,19,20)
InChIKeyVTPUZIKCFQRWSL-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.13
Rot. Bonds3

About 1-(2-methylcyclohexyl)-3-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]urea

1-(2-methylcyclohexyl)-3-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 128635933) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-3-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-3-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID128635933
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name1-(2-methylcyclohexyl)-3-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]urea
SMILESCC1CCCCC1NC(=O)Nc1nnc(C2CCOCC2)s1
InChIInChI=1S/C15H24N4O2S/c1-10-4-2-3-5-12(10)16-14(20)17-15-19-18-13(22-15)11-6-8-21-9-7-11/h10-12H,2-9H2,1H3,(H2,16,17,19,20)
InChIKeyVTPUZIKCFQRWSL-UHFFFAOYSA-N
XLogP3.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-methylcyclopentyl)urea
CID 167749021
1-(2-methylcyclohexyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 47197734
cis-methyl (1S,2R)-2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylate
CID 95971777
1-[(1R,2S)-2-(2,3-difluorophenyl)cyclopropyl]-3-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]urea
CID 146108870
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[4-(oxan-4-yl)phenyl]urea
CID 166306171
1-[(1R,2S)-2-(2-bromo-6-fluorophenyl)cyclopropyl]-3-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]urea
CID 167917224
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R,2R)-2-ethylsulfanylcyclopentyl]urea
CID 97030065
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea
CID 47048319
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]urea
CID 51946372
cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 841900
2-cyclopropyl-6-methyl-N-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
CID 128635594
2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2932957

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)-3-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-(2-methylcyclohexyl)-3-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]urea (CID 128635933) is 1-(2-methylcyclohexyl)-3-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-(2-methylcyclohexyl)-3-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-(2-methylcyclohexyl)-3-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]urea is CC1CCCCC1NC(=O)Nc1nnc(C2CCOCC2)s1.
What is the InChIKey of 1-(2-methylcyclohexyl)-3-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is VTPUZIKCFQRWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-10-4-2-3-5-12(10)16-14(20)17-15-19-18-13(22-15)11-6-8-21-9-7-11/h10-12H,2-9H2,1H3,(H2,16,17,19,20).
What are the key properties of 1-(2-methylcyclohexyl)-3-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]urea?
1-(2-methylcyclohexyl)-3-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 324.45 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)-3-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 128635933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).