1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]urea

C15H24N4O2S — CID 51946372

IUPAC1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]urea
SMILESC[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C15H24N4O2S/c1-10-4-2-3-5-12(10)21-9-8-16-14(20)17-15-19-18-13(22-15)11-6-7-11/h10-12H,2-9H2,1H3,(H2,16,17,19,20)/t10-,12-/m1/s1
InChIKeyXIATYTRNVGPZNN-ZYHUDNBSSA-N
MW324.45 g/mol
LogP3.13
Rot. Bonds6

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

1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]urea (PubChem CID 51946372) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]urea
PubChem CID51946372
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]urea
SMILESC[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C15H24N4O2S/c1-10-4-2-3-5-12(10)21-9-8-16-14(20)17-15-19-18-13(22-15)11-6-7-11/h10-12H,2-9H2,1H3,(H2,16,17,19,20)/t10-,12-/m1/s1
InChIKeyXIATYTRNVGPZNN-ZYHUDNBSSA-N
XLogP3.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-methylcyclopentyl)urea
CID 167749021
1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea
CID 47034652
1-[2-(4-cyanophenoxy)ethyl]-3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)urea
CID 167923716
1-(2-fluorophenyl)-3-[2-(2-methylcyclohexyl)oxyethyl]urea
CID 47034705
1-(2-methylcyclohexyl)-3-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]urea
CID 128635933
cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 841900
2,2-dimethyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]propanamide
CID 95573643
1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 94028900
1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 94028897
1-[2-(2-methylcyclohexyl)oxyethyl]-3-(5-methylhexan-2-yl)urea
CID 112828680
1-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-3-[5-(trifluoromethyl)-2-pyridinyl]urea
CID 97352901
1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 95130552

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]urea?
The IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]urea (CID 51946372) is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]urea.
What is the SMILES notation for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]urea?
The canonical SMILES for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]urea is C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]urea?
The InChIKey is XIATYTRNVGPZNN-ZYHUDNBSSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-10-4-2-3-5-12(10)21-9-8-16-14(20)17-15-19-18-13(22-15)11-6-7-11/h10-12H,2-9H2,1H3,(H2,16,17,19,20)/t10-,12-/m1/s1.
What are the key properties of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]urea?
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]urea has a molecular weight of 324.45 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]urea is sourced from PubChem (CID 51946372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).