N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

C19H18N4O3S2 — CID 1458548

About N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 1458548) has the molecular formula C19H18N4O3S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
• PubChem CID: 1458548
• Molecular Formula: C19H18N4O3S2
• Molecular Weight: 414.51 g/mol
• Exact Mass: 414.08
• IUPAC Name: N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
• SMILES: C[C@H]1Cc2cc(-c3csc(NC(=O)c4ccncc4)n3)ccc2N1S(C)(=O)=O
• InChI: InChI=1S/C19H18N4O3S2/c1-12-9-15-10-14(3-4-17(15)23(12)28(2,25)26)16-11-27-19(21-16)22-18(24)13-5-7-20-8-6-13/h3-8,10-12H,9H2,1-2H3,(H,21,22,24)/t12-/m0/s1
• InChIKey: OGCRQWKQZXSHHH-LBPRGKRZSA-N
• XLogP: 3.17
• TPSA: 92.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.51
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?

The IUPAC name of N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 1458548) is N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.

What is the SMILES notation for N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?

The canonical SMILES for N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is C[C@H]1Cc2cc(-c3csc(NC(=O)c4ccncc4)n3)ccc2N1S(C)(=O)=O.

What is the InChIKey of N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?

The InChIKey is OGCRQWKQZXSHHH-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18N4O3S2/c1-12-9-15-10-14(3-4-17(15)23(12)28(2,25)26)16-11-27-19(21-16)22-18(24)13-5-7-20-8-6-13/h3-8,10-12H,9H2,1-2H3,(H,21,22,24)/t12-/m0/s1.

What are the key properties of N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?

N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 1458548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).