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

C14H17N3O2S — CID 54787299

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)Nc1nnc(CC)s1
InChIInChI=1S/C14H17N3O2S/c1-3-9-19-11-8-6-5-7-10(11)13(18)15-14-17-16-12(4-2)20-14/h5-8H,3-4,9H2,1-2H3,(H,15,17,18)
InChIKeyKQNVJUZETCTOLO-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.14
Rot. Bonds6

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propoxybenzamide (PubChem CID 54787299) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propoxybenzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propoxybenzamide
PubChem CID54787299
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)Nc1nnc(CC)s1
InChIInChI=1S/C14H17N3O2S/c1-3-9-19-11-8-6-5-7-10(11)13(18)15-14-17-16-12(4-2)20-14/h5-8H,3-4,9H2,1-2H3,(H,15,17,18)
InChIKeyKQNVJUZETCTOLO-UHFFFAOYSA-N
XLogP3.14
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86907852
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethoxybenzamide
CID 4145587
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide
CID 2475480
N-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide
CID 17193357
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
2-butoxy-N-(thiatriazol-5-yl)benzamide
CID 19114331
2-(cyanomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82179672
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 881043
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxynaphthalene-2-carboxamide
CID 25480929
2-ethoxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 872228
2-methoxy-N-[5-[2-[2-[5-[(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3112374

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propoxybenzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propoxybenzamide (CID 54787299) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propoxybenzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propoxybenzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propoxybenzamide is CCCOc1ccccc1C(=O)Nc1nnc(CC)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propoxybenzamide?
The InChIKey is KQNVJUZETCTOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-9-19-11-8-6-5-7-10(11)13(18)15-14-17-16-12(4-2)20-14/h5-8H,3-4,9H2,1-2H3,(H,15,17,18).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propoxybenzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propoxybenzamide has a molecular weight of 291.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propoxybenzamide is sourced from PubChem (CID 54787299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).