3-cyclopropyl-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-1-methylpyrazole-5-carboxamide

C19H22N4OS2 — CID 92597594

About 3-cyclopropyl-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-1-methylpyrazole-5-carboxamide

3-cyclopropyl-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-1-methylpyrazole-5-carboxamide (PubChem CID 92597594) has the molecular formula C19H22N4OS2 and a molecular weight of 386.55 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-cyclopropyl-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-1-methylpyrazole-5-carboxamide
• PubChem CID: 92597594
• Molecular Formula: C19H22N4OS2
• Molecular Weight: 386.55 g/mol
• Exact Mass: 386.12
• IUPAC Name: 3-cyclopropyl-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-1-methylpyrazole-5-carboxamide
• SMILES: Cc1nc([C@H](Cc2ccsc2)NC(=O)c2cc(C3CC3)nn2C)sc1C
• InChI: InChI=1S/C19H22N4OS2/c1-11-12(2)26-19(20-11)16(8-13-6-7-25-10-13)21-18(24)17-9-15(14-4-5-14)22-23(17)3/h6-7,9-10,14,16H,4-5,8H2,1-3H3,(H,21,24)/t16-/m0/s1
• InChIKey: VNTSTFQVNJMQRX-INIZCTEOSA-N
• XLogP: 4.15
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.55
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-1-methylpyrazole-5-carboxamide?

The IUPAC name of 3-cyclopropyl-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-1-methylpyrazole-5-carboxamide (CID 92597594) is 3-cyclopropyl-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-1-methylpyrazole-5-carboxamide.

What is the SMILES notation for 3-cyclopropyl-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-1-methylpyrazole-5-carboxamide?

The canonical SMILES for 3-cyclopropyl-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-1-methylpyrazole-5-carboxamide is Cc1nc([C@H](Cc2ccsc2)NC(=O)c2cc(C3CC3)nn2C)sc1C.

What is the InChIKey of 3-cyclopropyl-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-1-methylpyrazole-5-carboxamide?

The InChIKey is VNTSTFQVNJMQRX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N4OS2/c1-11-12(2)26-19(20-11)16(8-13-6-7-25-10-13)21-18(24)17-9-15(14-4-5-14)22-23(17)3/h6-7,9-10,14,16H,4-5,8H2,1-3H3,(H,21,24)/t16-/m0/s1.

What are the key properties of 3-cyclopropyl-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-1-methylpyrazole-5-carboxamide?

3-cyclopropyl-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 386.55 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 92597594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).