4-ethyl-N-[1-(hydroxymethyl)cyclobutyl]thiadiazole-5-carboxamide

C10H15N3O2S — CID 115878220

IUPAC4-ethyl-N-[1-(hydroxymethyl)cyclobutyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC1(CO)CCC1
InChIInChI=1S/C10H15N3O2S/c1-2-7-8(16-13-12-7)9(15)11-10(6-14)4-3-5-10/h14H,2-6H2,1H3,(H,11,15)
InChIKeyIVGLXUALUMWNJO-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.75
Rot. Bonds4

About 4-ethyl-N-[1-(hydroxymethyl)cyclobutyl]thiadiazole-5-carboxamide

4-ethyl-N-[1-(hydroxymethyl)cyclobutyl]thiadiazole-5-carboxamide (PubChem CID 115878220) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-ethyl-N-[1-(hydroxymethyl)cyclobutyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[1-(hydroxymethyl)cyclobutyl]thiadiazole-5-carboxamide
PubChem CID115878220
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name4-ethyl-N-[1-(hydroxymethyl)cyclobutyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC1(CO)CCC1
InChIInChI=1S/C10H15N3O2S/c1-2-7-8(16-13-12-7)9(15)11-10(6-14)4-3-5-10/h14H,2-6H2,1H3,(H,11,15)
InChIKeyIVGLXUALUMWNJO-UHFFFAOYSA-N
XLogP0.75
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid
CID 79848305
N-[1-(aminomethyl)cyclopentyl]-4-ethylthiadiazole-5-carboxamide
CID 65210136
1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81158582
2-[1-[(4-propylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid
CID 79848854
1-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81361690
N-[1-(chloromethyl)-4-methylcyclohexyl]-4-ethylthiadiazole-5-carboxamide
CID 113273214
4-ethyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]thiadiazole-5-carboxamide
CID 77059715
N-cyclopentyl-4-ethylthiadiazole-5-carboxamide
CID 51204913
3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 65206183
(2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 65206273
N-(1-cyano-4-ethylcyclohexyl)-4-ethylthiadiazole-5-carboxamide
CID 65205115
N-[[1-(chloromethyl)cyclopropyl]methyl]-4-ethylthiadiazole-5-carboxamide
CID 115456007

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(hydroxymethyl)cyclobutyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[1-(hydroxymethyl)cyclobutyl]thiadiazole-5-carboxamide (CID 115878220) is 4-ethyl-N-[1-(hydroxymethyl)cyclobutyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[1-(hydroxymethyl)cyclobutyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[1-(hydroxymethyl)cyclobutyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NC1(CO)CCC1.
What is the InChIKey of 4-ethyl-N-[1-(hydroxymethyl)cyclobutyl]thiadiazole-5-carboxamide?
The InChIKey is IVGLXUALUMWNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-2-7-8(16-13-12-7)9(15)11-10(6-14)4-3-5-10/h14H,2-6H2,1H3,(H,11,15).
What are the key properties of 4-ethyl-N-[1-(hydroxymethyl)cyclobutyl]thiadiazole-5-carboxamide?
4-ethyl-N-[1-(hydroxymethyl)cyclobutyl]thiadiazole-5-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(hydroxymethyl)cyclobutyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 115878220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).