ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate

C9H15N3O2S — CID 121088928

IUPACethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate
SMILESCCCCc1nnc(NC(=O)OCC)s1
InChIInChI=1S/C9H15N3O2S/c1-3-5-6-7-11-12-8(15-7)10-9(13)14-4-2/h3-6H2,1-2H3,(H,10,12,13)
InChIKeyIBTWHZPLTRRVNZ-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.45
Rot. Bonds5

About ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate

ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate (PubChem CID 121088928) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate
PubChem CID121088928
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Nameethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate
SMILESCCCCc1nnc(NC(=O)OCC)s1
InChIInChI=1S/C9H15N3O2S/c1-3-5-6-7-11-12-8(15-7)10-9(13)14-4-2/h3-6H2,1-2H3,(H,10,12,13)
InChIKeyIBTWHZPLTRRVNZ-UHFFFAOYSA-N
XLogP2.45
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

pentyl N-(5-pentyl-1,3,4-thiadiazol-2-yl)carbamate
CID 2207802
ethyl N-[5-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]carbamate
CID 74982527
(E)-N'-(5-butyl-1,3,4-thiadiazol-2-yl)but-2-enediamide
CID 6435707
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
ethyl 5-(5-acetamido-1,3,4-thiadiazol-2-yl)pentanoate
CID 144633513
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 132962669
2-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylpentanamide;hydrochloride
CID 119678026
N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493
1-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 119265205
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 18198073

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate?
The IUPAC name of ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate (CID 121088928) is ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate.
What is the SMILES notation for ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate?
The canonical SMILES for ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate is CCCCc1nnc(NC(=O)OCC)s1.
What is the InChIKey of ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate?
The InChIKey is IBTWHZPLTRRVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-3-5-6-7-11-12-8(15-7)10-9(13)14-4-2/h3-6H2,1-2H3,(H,10,12,13).
What are the key properties of ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate?
ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate has a molecular weight of 229.30 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate is sourced from PubChem (CID 121088928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).