N-[(3S,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxooxolan-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C21H20ClN5O4S — CID 59677079

About N-[(3S,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxooxolan-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[(3S,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxooxolan-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 59677079) has the molecular formula C21H20ClN5O4S and a molecular weight of 473.94 g/mol. Its IUPAC name is N-[(3S,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxooxolan-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3S,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxooxolan-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• PubChem CID: 59677079
• Molecular Formula: C21H20ClN5O4S
• Molecular Weight: 473.94 g/mol
• Exact Mass: 473.09
• IUPAC Name: N-[(3S,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxooxolan-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• SMILES: CN1CCc2nc(C(=O)N[C@@H]3C(=O)OC[C@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
• InChI: InChI=1S/C21H20ClN5O4S/c1-27-5-4-13-16(8-27)32-20(25-13)19(29)26-17-15(9-31-21(17)30)24-18(28)14-7-10-6-11(22)2-3-12(10)23-14/h2-3,6-7,15,17,23H,4-5,8-9H2,1H3,(H,24,28)(H,26,29)/t15-,17+/m1/s1
• InChIKey: JRNSKEAEKPPGQR-WBVHZDCISA-N
• XLogP: 1.72
• TPSA: 116.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.94
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxooxolan-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The IUPAC name of N-[(3S,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxooxolan-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 59677079) is N-[(3S,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxooxolan-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[(3S,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxooxolan-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The canonical SMILES for N-[(3S,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxooxolan-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)N[C@@H]3C(=O)OC[C@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.

What is the InChIKey of N-[(3S,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxooxolan-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The InChIKey is JRNSKEAEKPPGQR-WBVHZDCISA-N. The full InChI is InChI=1S/C21H20ClN5O4S/c1-27-5-4-13-16(8-27)32-20(25-13)19(29)26-17-15(9-31-21(17)30)24-18(28)14-7-10-6-11(22)2-3-12(10)23-14/h2-3,6-7,15,17,23H,4-5,8-9H2,1H3,(H,24,28)(H,26,29)/t15-,17+/m1/s1.

What are the key properties of N-[(3S,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxooxolan-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

N-[(3S,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxooxolan-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 473.94 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-2-oxooxolan-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 59677079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).