(3R,4S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride

C15H23ClN6OS — CID 120917904

About (3R,4S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride

(3R,4S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120917904) has the molecular formula C15H23ClN6OS and a molecular weight of 370.91 g/mol. Its IUPAC name is (3R,4S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: (3R,4S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
• PubChem CID: 120917904
• Molecular Formula: C15H23ClN6OS
• Molecular Weight: 370.91 g/mol
• Exact Mass: 370.13
• IUPAC Name: (3R,4S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
• SMILES: CC(C)Cc1nnc(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)s1.Cl
• InChI: InChI=1S/C15H22N6OS.ClH/c1-9(2)4-13-19-20-15(23-13)18-14(22)12-7-16-6-11(12)10-5-17-21(3)8-10;/h5,8-9,11-12,16H,4,6-7H2,1-3H3,(H,18,20,22);1H/t11-,12+;/m1./s1
• InChIKey: NOBOUATXIIIUHW-LYCTWNKOSA-N
• XLogP: 1.83
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.91
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?

The IUPAC name of (3R,4S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride (CID 120917904) is (3R,4S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride.

What is the SMILES notation for (3R,4S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?

The canonical SMILES for (3R,4S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride is CC(C)Cc1nnc(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)s1.Cl.

What is the InChIKey of (3R,4S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?

The InChIKey is NOBOUATXIIIUHW-LYCTWNKOSA-N. The full InChI is InChI=1S/C15H22N6OS.ClH/c1-9(2)4-13-19-20-15(23-13)18-14(22)12-7-16-6-11(12)10-5-17-21(3)8-10;/h5,8-9,11-12,16H,4,6-7H2,1-3H3,(H,18,20,22);1H/t11-,12+;/m1./s1.

What are the key properties of (3R,4S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?

(3R,4S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 370.91 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120917904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).