N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxamide

C18H17N5O2S2 — CID 167777823

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 167777823) has the molecular formula C18H17N5O2S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxamide
• PubChem CID: 167777823
• Molecular Formula: C18H17N5O2S2
• Molecular Weight: 399.50 g/mol
• Exact Mass: 399.08
• IUPAC Name: N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxamide
• SMILES: CN1CCc2cc(-c3nc(C(=O)Nc4nc(CC(N)=O)cs4)cs3)ccc21
• InChI: InChI=1S/C18H17N5O2S2/c1-23-5-4-10-6-11(2-3-14(10)23)17-21-13(9-26-17)16(25)22-18-20-12(8-27-18)7-15(19)24/h2-3,6,8-9H,4-5,7H2,1H3,(H2,19,24)(H,20,22,25)
• InChIKey: OIDFKIVRLDHGAB-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 101.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.50
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxamide (CID 167777823) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxamide is CN1CCc2cc(-c3nc(C(=O)Nc4nc(CC(N)=O)cs4)cs3)ccc21.

What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxamide?

The InChIKey is OIDFKIVRLDHGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S2/c1-23-5-4-10-6-11(2-3-14(10)23)17-21-13(9-26-17)16(25)22-18-20-12(8-27-18)7-15(19)24/h2-3,6,8-9H,4-5,7H2,1H3,(H2,19,24)(H,20,22,25).

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

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 167777823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).