3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-methylurea

C9H14N4OS — CID 86768814

IUPAC3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C9H14N4OS/c1-3-13(2)9(14)10-8-12-11-7(15-8)6-4-5-6/h6H,3-5H2,1-2H3,(H,10,12,14)
InChIKeyOPJGKJRFOJJVHD-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.90
Rot. Bonds3

About 3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-methylurea

3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-methylurea (PubChem CID 86768814) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-methylurea
PubChem CID86768814
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C9H14N4OS/c1-3-13(2)9(14)10-8-12-11-7(15-8)6-4-5-6/h6H,3-5H2,1-2H3,(H,10,12,14)
InChIKeyOPJGKJRFOJJVHD-UHFFFAOYSA-N
XLogP1.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 42936586
N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 139461012
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)but-2-enamide
CID 4799650
3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 55696045
cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 841900
2-amino-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride
CID 130694011
3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]urea
CID 98768605
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropan-2-yl)urea
CID 47196431
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide
CID 684814
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111519633
3-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]urea
CID 45214032
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 19229276

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-methylurea?
The IUPAC name of 3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-methylurea (CID 86768814) is 3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-methylurea.
What is the SMILES notation for 3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-methylurea?
The canonical SMILES for 3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-methylurea is CCN(C)C(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of 3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-methylurea?
The InChIKey is OPJGKJRFOJJVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-3-13(2)9(14)10-8-12-11-7(15-8)6-4-5-6/h6H,3-5H2,1-2H3,(H,10,12,14).
What are the key properties of 3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-methylurea?
3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-methylurea has a molecular weight of 226.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-methylurea is sourced from PubChem (CID 86768814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).