3-(1H-imidazol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]benzamide

C16H17N5OS — CID 77087997

IUPAC3-(1H-imidazol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]benzamide
SMILESCC(C)c1nnsc1CNC(=O)c1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C16H17N5OS/c1-10(2)14-13(23-21-20-14)9-19-16(22)12-5-3-4-11(8-12)15-17-6-7-18-15/h3-8,10H,9H2,1-2H3,(H,17,18)(H,19,22)
InChIKeyUMDZDKJHCXKKBU-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.98
Rot. Bonds5

About 3-(1H-imidazol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]benzamide

3-(1H-imidazol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]benzamide (PubChem CID 77087997) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]benzamide
PubChem CID77087997
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name3-(1H-imidazol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]benzamide
SMILESCC(C)c1nnsc1CNC(=O)c1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C16H17N5OS/c1-10(2)14-13(23-21-20-14)9-19-16(22)12-5-3-4-11(8-12)15-17-6-7-18-15/h3-8,10H,9H2,1-2H3,(H,17,18)(H,19,22)
InChIKeyUMDZDKJHCXKKBU-UHFFFAOYSA-N
XLogP2.98
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]benzamide?
The IUPAC name of 3-(1H-imidazol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]benzamide (CID 77087997) is 3-(1H-imidazol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-(1H-imidazol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]benzamide is CC(C)c1nnsc1CNC(=O)c1cccc(-c2ncc[nH]2)c1.
What is the InChIKey of 3-(1H-imidazol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]benzamide?
The InChIKey is UMDZDKJHCXKKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-10(2)14-13(23-21-20-14)9-19-16(22)12-5-3-4-11(8-12)15-17-6-7-18-15/h3-8,10H,9H2,1-2H3,(H,17,18)(H,19,22).
What are the key properties of 3-(1H-imidazol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]benzamide?
3-(1H-imidazol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]benzamide has a molecular weight of 327.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 77087997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).