N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-hydroxyprop-1-ynyl)benzamide

C14H13N3O2S — CID 107642805

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-hydroxyprop-1-ynyl)benzamide
SMILESCCc1nnc(NC(=O)c2cccc(C#CCO)c2)s1
InChIInChI=1S/C14H13N3O2S/c1-2-12-16-17-14(20-12)15-13(19)11-7-3-5-10(9-11)6-4-8-18/h3,5,7,9,18H,2,8H2,1H3,(H,15,17,19)
InChIKeyGSYVEZALUYBLRW-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.70
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-hydroxyprop-1-ynyl)benzamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 107642805) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID107642805
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-hydroxyprop-1-ynyl)benzamide
SMILESCCc1nnc(NC(=O)c2cccc(C#CCO)c2)s1
InChIInChI=1S/C14H13N3O2S/c1-2-12-16-17-14(20-12)15-13(19)11-7-3-5-10(9-11)6-4-8-18/h3,5,7,9,18H,2,8H2,1H3,(H,15,17,19)
InChIKeyGSYVEZALUYBLRW-UHFFFAOYSA-N
XLogP1.70
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 29410773
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-ethynylpyridine-3-carboxamide
CID 100657762
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 743085
5-(3-aminoprop-1-ynyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
CID 107642867
3-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17297201
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenacylsulfanylbenzamide
CID 84560916
3-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2635787
N-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 65042615
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816355
3-(3-hydroxyprop-1-ynyl)-N-(3-methoxyphenyl)benzamide
CID 60815302
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
CID 7747528

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-hydroxyprop-1-ynyl)benzamide (CID 107642805) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-hydroxyprop-1-ynyl)benzamide is CCc1nnc(NC(=O)c2cccc(C#CCO)c2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is GSYVEZALUYBLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-2-12-16-17-14(20-12)15-13(19)11-7-3-5-10(9-11)6-4-8-18/h3,5,7,9,18H,2,8H2,1H3,(H,15,17,19).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-hydroxyprop-1-ynyl)benzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 287.34 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 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)-3-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 107642805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).