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

C13H13N7OS — CID 75490448

IUPAC4-(2-propan-2-yltetrazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCC(C)n1nnc(-c2ccc(C(=O)Nc3nncs3)cc2)n1
InChIInChI=1S/C13H13N7OS/c1-8(2)20-18-11(16-19-20)9-3-5-10(6-4-9)12(21)15-13-17-14-7-22-13/h3-8H,1-2H3,(H,15,17,21)
InChIKeyMUENAJPPJDUDRX-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.02
Rot. Bonds4

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

4-(2-propan-2-yltetrazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 75490448) has the molecular formula C13H13N7OS and a molecular weight of 315.36 g/mol. Its IUPAC name is 4-(2-propan-2-yltetrazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(2-propan-2-yltetrazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID75490448
Molecular FormulaC13H13N7OS
Molecular Weight315.36 g/mol
Exact Mass315.09
IUPAC Name4-(2-propan-2-yltetrazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCC(C)n1nnc(-c2ccc(C(=O)Nc3nncs3)cc2)n1
InChIInChI=1S/C13H13N7OS/c1-8(2)20-18-11(16-19-20)9-3-5-10(6-4-9)12(21)15-13-17-14-7-22-13/h3-8H,1-2H3,(H,15,17,21)
InChIKeyMUENAJPPJDUDRX-UHFFFAOYSA-N
XLogP2.02
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-3-methyl-2-(5-phenyltetrazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 94638623
N-(1-methylpyrazol-3-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75490647
N-(1-methylindol-6-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75490589
4-(4-propan-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 51093587
3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 739253
4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 17018933
2-propan-2-yl-5-(4-propan-2-ylphenyl)tetrazole
CID 126669266
N-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75489199
N-(oxolan-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75490780
N-[[(2R)-oxolan-2-yl]methyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 97497055
[4-(2-propan-2-yltetrazol-5-yl)phenyl]methanol
CID 84786119
N-(1H-benzimidazol-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 71829427

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-yltetrazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-(2-propan-2-yltetrazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 75490448) is 4-(2-propan-2-yltetrazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(2-propan-2-yltetrazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-(2-propan-2-yltetrazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide is CC(C)n1nnc(-c2ccc(C(=O)Nc3nncs3)cc2)n1.
What is the InChIKey of 4-(2-propan-2-yltetrazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is MUENAJPPJDUDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7OS/c1-8(2)20-18-11(16-19-20)9-3-5-10(6-4-9)12(21)15-13-17-14-7-22-13/h3-8H,1-2H3,(H,15,17,21).
What are the key properties of 4-(2-propan-2-yltetrazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
4-(2-propan-2-yltetrazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 315.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-yltetrazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 75490448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).