N-[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)propanamide

C16H16N6O2S — CID 46970593

About N-[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)propanamide

N-[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)propanamide (PubChem CID 46970593) has the molecular formula C16H16N6O2S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)propanamide.

Molecular Properties

• Compound Name: N-[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)propanamide
• PubChem CID: 46970593
• Molecular Formula: C16H16N6O2S
• Molecular Weight: 356.41 g/mol
• Exact Mass: 356.11
• IUPAC Name: N-[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)propanamide
• SMILES: CC1Cc2cc(-c3csc(NC(=O)CCn4cnnn4)n3)ccc2O1
• InChI: InChI=1S/C16H16N6O2S/c1-10-6-12-7-11(2-3-14(12)24-10)13-8-25-16(18-13)19-15(23)4-5-22-9-17-20-21-22/h2-3,7-10H,4-6H2,1H3,(H,18,19,23)
• InChIKey: LMQAWHWPVJZPHX-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 94.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.41
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)propanamide?

The IUPAC name of N-[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)propanamide (CID 46970593) is N-[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)propanamide.

What is the SMILES notation for N-[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)propanamide?

The canonical SMILES for N-[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)propanamide is CC1Cc2cc(-c3csc(NC(=O)CCn4cnnn4)n3)ccc2O1.

What is the InChIKey of N-[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)propanamide?

The InChIKey is LMQAWHWPVJZPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2S/c1-10-6-12-7-11(2-3-14(12)24-10)13-8-25-16(18-13)19-15(23)4-5-22-9-17-20-21-22/h2-3,7-10H,4-6H2,1H3,(H,18,19,23).

What are the key properties of N-[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)propanamide?

N-[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)propanamide has a molecular weight of 356.41 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 46970593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).