1-butyl-1-ethyl-3-(thiadiazol-5-yl)urea

C9H16N4OS — CID 99836113

IUPAC1-butyl-1-ethyl-3-(thiadiazol-5-yl)urea
SMILESCCCCN(CC)C(=O)Nc1cnns1
InChIInChI=1S/C9H16N4OS/c1-3-5-6-13(4-2)9(14)11-8-7-10-12-15-8/h7H,3-6H2,1-2H3,(H,11,14)
InChIKeyWDSNRYHNAZZCRT-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.19
Rot. Bonds5

About 1-butyl-1-ethyl-3-(thiadiazol-5-yl)urea

1-butyl-1-ethyl-3-(thiadiazol-5-yl)urea (PubChem CID 99836113) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-butyl-1-ethyl-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-butyl-1-ethyl-3-(thiadiazol-5-yl)urea
PubChem CID99836113
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name1-butyl-1-ethyl-3-(thiadiazol-5-yl)urea
SMILESCCCCN(CC)C(=O)Nc1cnns1
InChIInChI=1S/C9H16N4OS/c1-3-5-6-13(4-2)9(14)11-8-7-10-12-15-8/h7H,3-6H2,1-2H3,(H,11,14)
InChIKeyWDSNRYHNAZZCRT-UHFFFAOYSA-N
XLogP2.19
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-1-methyl-3-(thiadiazol-5-yl)urea
CID 86807489
1-Cyclopropyl-1-(2-hydroxy-2-methylpropyl)-3-(thiadiazol-5-yl)urea
CID 99836112
N-Cyclohexyl-N'-1,2,3-thiadiazol-5-ylurea
CID 13729971
N-Cyclopentyl-N'-1,2,3-thiadiazol-5-ylurea
CID 23044826
3,3-difluoro-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 128069727
3-fluoro-3-methyl-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 128069969
1-(2-Fluoroethyl)-3-(thiadiazol-5-yl)urea
CID 130668369
1-(1-Fluoropropan-2-yl)-3-(thiadiazol-5-yl)urea
CID 130679934
1-(2,2-Difluoroethyl)-1-methyl-3-(thiadiazol-5-yl)urea
CID 132297949
N-(thiadiazol-5-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
CID 137925604
1-[1-(2,2-Difluoroethyl)pyrrolidin-3-yl]-3-(thiadiazol-5-yl)urea
CID 137933484
1-[[1-(2,2-Difluoroethyl)pyrrolidin-2-yl]methyl]-3-(thiadiazol-5-yl)urea
CID 138025037

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-ethyl-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1-butyl-1-ethyl-3-(thiadiazol-5-yl)urea (CID 99836113) is 1-butyl-1-ethyl-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1-butyl-1-ethyl-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1-butyl-1-ethyl-3-(thiadiazol-5-yl)urea is CCCCN(CC)C(=O)Nc1cnns1.
What is the InChIKey of 1-butyl-1-ethyl-3-(thiadiazol-5-yl)urea?
The InChIKey is WDSNRYHNAZZCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-3-5-6-13(4-2)9(14)11-8-7-10-12-15-8/h7H,3-6H2,1-2H3,(H,11,14).
What are the key properties of 1-butyl-1-ethyl-3-(thiadiazol-5-yl)urea?
1-butyl-1-ethyl-3-(thiadiazol-5-yl)urea has a molecular weight of 228.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-ethyl-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 99836113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).