N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpentanamide

C16H20N6OS — CID 3206734

IUPACN-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpentanamide
SMILESCCCCC(=O)N(CC)c1nnc(Cn2nnc3ccccc32)s1
InChIInChI=1S/C16H20N6OS/c1-3-5-10-15(23)21(4-2)16-19-18-14(24-16)11-22-13-9-7-6-8-12(13)17-20-22/h6-9H,3-5,10-11H2,1-2H3
InChIKeyNWQGGQQSYQNPKM-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.87
Rot. Bonds7

About N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpentanamide

N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpentanamide (PubChem CID 3206734) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpentanamide.

Molecular Properties

Compound NameN-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpentanamide
PubChem CID3206734
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC NameN-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpentanamide
SMILESCCCCC(=O)N(CC)c1nnc(Cn2nnc3ccccc32)s1
InChIInChI=1S/C16H20N6OS/c1-3-5-10-15(23)21(4-2)16-19-18-14(24-16)11-22-13-9-7-6-8-12(13)17-20-22/h6-9H,3-5,10-11H2,1-2H3
InChIKeyNWQGGQQSYQNPKM-UHFFFAOYSA-N
XLogP2.87
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethyl-3-methylbutanamide
CID 857951
N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethyl-2-methoxybenzamide
CID 1440694
N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(2,4-dioxopentan-3-yl)benzamide
CID 10873749
(2R)-N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)oxolane-2-carboxamide
CID 7383409
1-(benzotriazol-1-yl)undecan-2-one
CID 3783486
1-tridecylbenzotriazole
CID 21059042
acetic acid;1-octylbenzotriazole
CID 175150004
4-(benzotriazol-1-ylmethyl)-N-butyl-N-phenylbenzamide
CID 36667910
silver 1-octylbenzotriazole
CID 19818350
N-ethyl-N-phenylbenzotriazole-1-carboxamide
CID 66688521
diethyl 2-(benzotriazol-1-ylmethyl)propanedioate
CID 10039908
2-(benzotriazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 46527260

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpentanamide?
The IUPAC name of N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpentanamide (CID 3206734) is N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpentanamide.
What is the SMILES notation for N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpentanamide?
The canonical SMILES for N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpentanamide is CCCCC(=O)N(CC)c1nnc(Cn2nnc3ccccc32)s1.
What is the InChIKey of N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpentanamide?
The InChIKey is NWQGGQQSYQNPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-3-5-10-15(23)21(4-2)16-19-18-14(24-16)11-22-13-9-7-6-8-12(13)17-20-22/h6-9H,3-5,10-11H2,1-2H3.
What are the key properties of N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpentanamide?
N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpentanamide has a molecular weight of 344.44 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpentanamide is sourced from PubChem (CID 3206734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).