1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea

C11H18N4O2S — CID 111519633

IUPAC1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
SMILESCCC(C)(CO)NC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C11H18N4O2S/c1-3-11(2,6-16)13-9(17)12-10-15-14-8(18-10)7-4-5-7/h7,16H,3-6H2,1-2H3,(H2,12,13,15,17)
InChIKeyRQDCZIGYMJXOJR-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.70
Rot. Bonds5

About 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea

1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea (PubChem CID 111519633) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
PubChem CID111519633
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
SMILESCCC(C)(CO)NC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C11H18N4O2S/c1-3-11(2,6-16)13-9(17)12-10-15-14-8(18-10)7-4-5-7/h7,16H,3-6H2,1-2H3,(H2,12,13,15,17)
InChIKeyRQDCZIGYMJXOJR-UHFFFAOYSA-N
XLogP1.70
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Cyclopropyl-1-hydroxypropan-2-yl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 71973692
1-(2-Cyclohexyl-1-hydroxypropan-2-yl)-3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)urea
CID 72041025
1-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 97030465
1-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 97030466
1-(1-Hydroxy-2-methylbutan-2-yl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 111754498
1-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111926148
1-(2-Cyclopropyl-1-hydroxypropan-2-yl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 111976274
1-(1-Hydroxypropan-2-yl)-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 45821429
1-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropan-2-yl)urea
CID 47196431
1-Butyl-3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2-hydroxyethyl)urea
CID 47196456
1-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxybutan-2-yl)urea
CID 47196483
1-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxyethyl)urea
CID 47237465

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea?
The IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea (CID 111519633) is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea.
What is the SMILES notation for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea?
The canonical SMILES for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea is CCC(C)(CO)NC(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea?
The InChIKey is RQDCZIGYMJXOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-3-11(2,6-16)13-9(17)12-10-15-14-8(18-10)7-4-5-7/h7,16H,3-6H2,1-2H3,(H2,12,13,15,17).
What are the key properties of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea?
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea has a molecular weight of 270.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 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-(1-hydroxy-2-methylbutan-2-yl)urea is sourced from PubChem (CID 111519633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).