N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide

C19H17N7O2S2 — CID 112818737

About N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide (PubChem CID 112818737) has the molecular formula C19H17N7O2S2 and a molecular weight of 439.53 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
• PubChem CID: 112818737
• Molecular Formula: C19H17N7O2S2
• Molecular Weight: 439.53 g/mol
• Exact Mass: 439.09
• IUPAC Name: N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
• SMILES: CC(=O)NCc1ccc(-c2nc(NC(=O)c3ccc(-n4cnnn4)cc3)sc2C)s1
• InChI: InChI=1S/C19H17N7O2S2/c1-11-17(16-8-7-15(30-16)9-20-12(2)27)22-19(29-11)23-18(28)13-3-5-14(6-4-13)26-10-21-24-25-26/h3-8,10H,9H2,1-2H3,(H,20,27)(H,22,23,28)
• InChIKey: SAQASZKVICYXNB-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 114.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.53
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide?

The IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide (CID 112818737) is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide.

What is the SMILES notation for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide?

The canonical SMILES for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide is CC(=O)NCc1ccc(-c2nc(NC(=O)c3ccc(-n4cnnn4)cc3)sc2C)s1.

What is the InChIKey of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide?

The InChIKey is SAQASZKVICYXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O2S2/c1-11-17(16-8-7-15(30-16)9-20-12(2)27)22-19(29-11)23-18(28)13-3-5-14(6-4-13)26-10-21-24-25-26/h3-8,10H,9H2,1-2H3,(H,20,27)(H,22,23,28).

What are the key properties of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide?

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 439.53 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 112818737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).