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

C14H17N3OS — CID 19225847

IUPAC4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1ccc(C(=O)Nc2nnc(C(C)C)s2)cc1
InChIInChI=1S/C14H17N3OS/c1-4-10-5-7-11(8-6-10)12(18)15-14-17-16-13(19-14)9(2)3/h5-9H,4H2,1-3H3,(H,15,17,18)
InChIKeyRNJGDQLWSYAXDA-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.48
Rot. Bonds4

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

4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 19225847) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID19225847
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1ccc(C(=O)Nc2nnc(C(C)C)s2)cc1
InChIInChI=1S/C14H17N3OS/c1-4-10-5-7-11(8-6-10)12(18)15-14-17-16-13(19-14)9(2)3/h5-9H,4H2,1-3H3,(H,15,17,18)
InChIKeyRNJGDQLWSYAXDA-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyanomethyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 82179647
4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623816
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 30043833
4-N-tert-butyl-1-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide
CID 48851135
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 35849591
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
4-(methoxymethyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 16557264
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675853
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide
CID 24506412
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
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 78820801

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 19225847) is 4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide is CCc1ccc(C(=O)Nc2nnc(C(C)C)s2)cc1.
What is the InChIKey of 4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is RNJGDQLWSYAXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-4-10-5-7-11(8-6-10)12(18)15-14-17-16-13(19-14)9(2)3/h5-9H,4H2,1-3H3,(H,15,17,18).
What are the key properties of 4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 275.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 19225847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).