N-[5-(2-hydroxypropan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C13H17N5O2S2 — CID 155950021

About N-[5-(2-hydroxypropan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

N-[5-(2-hydroxypropan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 155950021) has the molecular formula C13H17N5O2S2 and a molecular weight of 339.45 g/mol. Its IUPAC name is N-[5-(2-hydroxypropan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(2-hydroxypropan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
• PubChem CID: 155950021
• Molecular Formula: C13H17N5O2S2
• Molecular Weight: 339.45 g/mol
• Exact Mass: 339.08
• IUPAC Name: N-[5-(2-hydroxypropan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
• SMILES: CC(C)(O)c1nnc(NC(=O)C2CCCN2c2nccs2)s1
• InChI: InChI=1S/C13H17N5O2S2/c1-13(2,20)10-16-17-11(22-10)15-9(19)8-4-3-6-18(8)12-14-5-7-21-12/h5,7-8,20H,3-4,6H2,1-2H3,(H,15,17,19)
• InChIKey: VVUCYIOOSJBYOS-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 91.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.45
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-hydroxypropan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?

The IUPAC name of N-[5-(2-hydroxypropan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 155950021) is N-[5-(2-hydroxypropan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

What is the SMILES notation for N-[5-(2-hydroxypropan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?

The canonical SMILES for N-[5-(2-hydroxypropan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is CC(C)(O)c1nnc(NC(=O)C2CCCN2c2nccs2)s1.

What is the InChIKey of N-[5-(2-hydroxypropan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?

The InChIKey is VVUCYIOOSJBYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S2/c1-13(2,20)10-16-17-11(22-10)15-9(19)8-4-3-6-18(8)12-14-5-7-21-12/h5,7-8,20H,3-4,6H2,1-2H3,(H,15,17,19).

What are the key properties of N-[5-(2-hydroxypropan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?

N-[5-(2-hydroxypropan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 339.45 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-hydroxypropan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 155950021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).