N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide

C14H17N3O2S — CID 40535473

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
SMILESCCCCc1nnc(NC(=O)c2ccccc2OC)s1
InChIInChI=1S/C14H17N3O2S/c1-3-4-9-12-16-17-14(20-12)15-13(18)10-7-5-6-8-11(10)19-2/h5-8H,3-4,9H2,1-2H3,(H,15,17,18)
InChIKeyVFSNVNIWTYWSPK-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.14
Rot. Bonds6

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide (PubChem CID 40535473) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
PubChem CID40535473
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
SMILESCCCCc1nnc(NC(=O)c2ccccc2OC)s1
InChIInChI=1S/C14H17N3O2S/c1-3-4-9-12-16-17-14(20-12)15-13(18)10-7-5-6-8-11(10)19-2/h5-8H,3-4,9H2,1-2H3,(H,15,17,18)
InChIKeyVFSNVNIWTYWSPK-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

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
2,5-dimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 51176076
2,4,5-trimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8933648
N-(5-hexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 3099838
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 19172987
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 24648209
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide
CID 26197202
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethoxybenzamide
CID 4145587
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propoxybenzamide
CID 54787299
2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxybenzamide
CID 26197074
3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551224
2-(2-methoxyethoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 60567241

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide (CID 40535473) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide is CCCCc1nnc(NC(=O)c2ccccc2OC)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide?
The InChIKey is VFSNVNIWTYWSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-4-9-12-16-17-14(20-12)15-13(18)10-7-5-6-8-11(10)19-2/h5-8H,3-4,9H2,1-2H3,(H,15,17,18).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide 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-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 40535473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).