2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide

C14H17N3OS — CID 78792564

IUPAC2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCc1nnc(NC(=O)c2ccc(C)cc2C)s1
InChIInChI=1S/C14H17N3OS/c1-4-5-12-16-17-14(19-12)15-13(18)11-7-6-9(2)8-10(11)3/h6-8H,4-5H2,1-3H3,(H,15,17,18)
InChIKeyPSRQUYUPOQSGTH-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.36
Rot. Bonds4

About 2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide

2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 78792564) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID78792564
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCc1nnc(NC(=O)c2ccc(C)cc2C)s1
InChIInChI=1S/C14H17N3OS/c1-4-5-12-16-17-14(19-12)15-13(18)11-7-6-9(2)8-10(11)3/h6-8H,4-5H2,1-3H3,(H,15,17,18)
InChIKeyPSRQUYUPOQSGTH-UHFFFAOYSA-N
XLogP3.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 110485976
2-(methanesulfonamido)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 86846575
2,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100644344
2,4-difluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109760
2,3,4-trifluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 108808572
3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 34109190
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 146128553
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
2,4-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099815
7-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide
CID 4975873
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (CID 78792564) is 2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is CCCc1nnc(NC(=O)c2ccc(C)cc2C)s1.
What is the InChIKey of 2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is PSRQUYUPOQSGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-4-5-12-16-17-14(19-12)15-13(18)11-7-6-9(2)8-10(11)3/h6-8H,4-5H2,1-3H3,(H,15,17,18).
What are the key properties of 2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 275.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 78792564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).