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

C14H16N4O2S — CID 32623875

IUPAC3-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2nnc(C(C)C)s2)c1
InChIInChI=1S/C14H16N4O2S/c1-8(2)13-17-18-14(21-13)16-12(20)10-5-4-6-11(7-10)15-9(3)19/h4-8H,1-3H3,(H,15,19)(H,16,18,20)
InChIKeyRENBOOKVAAVGDO-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.87
Rot. Bonds4

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

3-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 32623875) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 3-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID32623875
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name3-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2nnc(C(C)C)s2)c1
InChIInChI=1S/C14H16N4O2S/c1-8(2)13-17-18-14(21-13)16-12(20)10-5-4-6-11(7-10)15-9(3)19/h4-8H,1-3H3,(H,15,19)(H,16,18,20)
InChIKeyRENBOOKVAAVGDO-UHFFFAOYSA-N
XLogP2.87
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetamido-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 51148570
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 108804701
3-phenoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 9247160
3-(methylsulfonylmethyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 43033712
3-(1,3-dioxoisoindol-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1192525
3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 9247167
4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623816
N-(3-bromophenyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1416510
3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32624601
3-benzamido-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 4563108
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-3-(dimethylamino)benzamide
CID 82176383
3-(azepan-1-ylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 24506376

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 32623875) is 3-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide is CC(=O)Nc1cccc(C(=O)Nc2nnc(C(C)C)s2)c1.
What is the InChIKey of 3-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is RENBOOKVAAVGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-8(2)13-17-18-14(21-13)16-12(20)10-5-4-6-11(7-10)15-9(3)19/h4-8H,1-3H3,(H,15,19)(H,16,18,20).
What are the key properties of 3-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
3-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 304.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 32623875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).