3-cyclobutyl-N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide

C14H20N4OS — CID 166281210

IUPAC3-cyclobutyl-N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide
SMILESO=C(Nc1nnc(CC2CC2)s1)N1CC(C2CCC2)C1
InChIInChI=1S/C14H20N4OS/c19-14(18-7-11(8-18)10-2-1-3-10)15-13-17-16-12(20-13)6-9-4-5-9/h9-11H,1-8H2,(H,15,17,19)
InChIKeyUYTZHVCAZMWVNU-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.75
Rot. Bonds4

About 3-cyclobutyl-N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide

3-cyclobutyl-N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide (PubChem CID 166281210) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 3-cyclobutyl-N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-cyclobutyl-N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide
PubChem CID166281210
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name3-cyclobutyl-N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide
SMILESO=C(Nc1nnc(CC2CC2)s1)N1CC(C2CCC2)C1
InChIInChI=1S/C14H20N4OS/c19-14(18-7-11(8-18)10-2-1-3-10)15-13-17-16-12(20-13)6-9-4-5-9/h9-11H,1-8H2,(H,15,17,19)
InChIKeyUYTZHVCAZMWVNU-UHFFFAOYSA-N
XLogP2.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]azetidine-3-carboxylic acid
CID 106262326
(3S)-N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97321208
2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 107642586
(3aR,6aR)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide
CID 99778298
1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 106262196
N-[3-(methylamino)-1,2,4-thiadiazol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 166943291
3-(hydroxymethyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 110890794
tert-butyl (3R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylate
CID 129380197
(3aR,6aS)-N-(3-oxo-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 135191077
tert-butyl (3S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylate
CID 129380196
(3R)-3-[(1-methylimidazol-2-yl)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 97099007
1-[[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122087159

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide?
The IUPAC name of 3-cyclobutyl-N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide (CID 166281210) is 3-cyclobutyl-N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide.
What is the SMILES notation for 3-cyclobutyl-N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide?
The canonical SMILES for 3-cyclobutyl-N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide is O=C(Nc1nnc(CC2CC2)s1)N1CC(C2CCC2)C1.
What is the InChIKey of 3-cyclobutyl-N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide?
The InChIKey is UYTZHVCAZMWVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c19-14(18-7-11(8-18)10-2-1-3-10)15-13-17-16-12(20-13)6-9-4-5-9/h9-11H,1-8H2,(H,15,17,19).
What are the key properties of 3-cyclobutyl-N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide?
3-cyclobutyl-N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide is sourced from PubChem (CID 166281210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).