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

C17H20N4O2S — CID 166306171

IUPAC1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[4-(oxan-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(C2CCOCC2)cc1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C17H20N4O2S/c22-16(19-17-21-20-15(24-17)13-1-2-13)18-14-5-3-11(4-6-14)12-7-9-23-10-8-12/h3-6,12-13H,1-2,7-10H2,(H2,18,19,21,22)
InChIKeyIPUAWSRTQARVSZ-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.95
Rot. Bonds4

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

1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[4-(oxan-4-yl)phenyl]urea (PubChem CID 166306171) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[4-(oxan-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[4-(oxan-4-yl)phenyl]urea
PubChem CID166306171
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[4-(oxan-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(C2CCOCC2)cc1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C17H20N4O2S/c22-16(19-17-21-20-15(24-17)13-1-2-13)18-14-5-3-11(4-6-14)12-7-9-23-10-8-12/h3-6,12-13H,1-2,7-10H2,(H2,18,19,21,22)
InChIKeyIPUAWSRTQARVSZ-UHFFFAOYSA-N
XLogP3.95
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)urea
CID 808855
N-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]phenyl]-3-methylbutanamide
CID 55973650
1-(2-methylcyclohexyl)-3-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]urea
CID 128635933
4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78770285
1-[(1R,2S)-2-(2,3-difluorophenyl)cyclopropyl]-3-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]urea
CID 146108870
1-(3-chlorophenyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)urea
CID 734405
1-(4-chlorophenyl)-3-[5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea
CID 7587568
1-[(1R,2S)-2-(2-bromo-6-fluorophenyl)cyclopropyl]-3-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]urea
CID 167917224
(3aR,4R,7S,7aS)-N-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide
CID 167841643
1-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]urea
CID 146096591
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 51106246
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-3-methylbutan-2-yl]urea
CID 52593631

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[4-(oxan-4-yl)phenyl]urea?
The IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[4-(oxan-4-yl)phenyl]urea (CID 166306171) is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[4-(oxan-4-yl)phenyl]urea.
What is the SMILES notation for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[4-(oxan-4-yl)phenyl]urea?
The canonical SMILES for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[4-(oxan-4-yl)phenyl]urea is O=C(Nc1ccc(C2CCOCC2)cc1)Nc1nnc(C2CC2)s1.
What is the InChIKey of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[4-(oxan-4-yl)phenyl]urea?
The InChIKey is IPUAWSRTQARVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c22-16(19-17-21-20-15(24-17)13-1-2-13)18-14-5-3-11(4-6-14)12-7-9-23-10-8-12/h3-6,12-13H,1-2,7-10H2,(H2,18,19,21,22).
What are the key properties of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[4-(oxan-4-yl)phenyl]urea?
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[4-(oxan-4-yl)phenyl]urea has a molecular weight of 344.44 g/mol, XLogP of 3.95, 4 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-[4-(oxan-4-yl)phenyl]urea is sourced from PubChem (CID 166306171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).