4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide

C15H19N3O2S — CID 1086863

IUPAC4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCC(CC)c1nnc(NC(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C15H19N3O2S/c1-4-10(5-2)14-17-18-15(21-14)16-13(19)11-6-8-12(20-3)9-7-11/h6-10H,4-5H2,1-3H3,(H,16,18,19)
InChIKeyNBHSGJZFJXTUEU-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.70
Rot. Bonds6

About 4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide

4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 1086863) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID1086863
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCC(CC)c1nnc(NC(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C15H19N3O2S/c1-4-10(5-2)14-17-18-15(21-14)16-13(19)11-6-8-12(20-3)9-7-11/h6-10H,4-5H2,1-3H3,(H,16,18,19)
InChIKeyNBHSGJZFJXTUEU-UHFFFAOYSA-N
XLogP3.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086877
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675853
4-(methoxymethyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 16557264
4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675832
4-fluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086860
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 35865479
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(propanoylamino)benzamide
CID 17257379
4-(2-ethylbutanoylamino)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 17309269
4-(4-methoxyphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 19197187
3,4-dichloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 735079
3,4-difluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 18194623
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 1086863) is 4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide is CCC(CC)c1nnc(NC(=O)c2ccc(OC)cc2)s1.
What is the InChIKey of 4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is NBHSGJZFJXTUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-4-10(5-2)14-17-18-15(21-14)16-13(19)11-6-8-12(20-3)9-7-11/h6-10H,4-5H2,1-3H3,(H,16,18,19).
What are the key properties of 4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 305.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 1086863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).