N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide

C14H13N5O2S2 — CID 39025508

About N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide (PubChem CID 39025508) has the molecular formula C14H13N5O2S2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide
• PubChem CID: 39025508
• Molecular Formula: C14H13N5O2S2
• Molecular Weight: 347.43 g/mol
• Exact Mass: 347.05
• IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide
• SMILES: Cc1nc(NC(=O)c2n[nH]c3ccccc23)sc1SCC(N)=O
• InChI: InChI=1S/C14H13N5O2S2/c1-7-13(22-6-10(15)20)23-14(16-7)17-12(21)11-8-4-2-3-5-9(8)18-19-11/h2-5H,6H2,1H3,(H2,15,20)(H,18,19)(H,16,17,21)
• InChIKey: YOOCZNFZSYEVKQ-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 113.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.43
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide (CID 39025508) is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide.

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

The canonical SMILES for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide is Cc1nc(NC(=O)c2n[nH]c3ccccc23)sc1SCC(N)=O.

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

The InChIKey is YOOCZNFZSYEVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S2/c1-7-13(22-6-10(15)20)23-14(16-7)17-12(21)11-8-4-2-3-5-9(8)18-19-11/h2-5H,6H2,1H3,(H2,15,20)(H,18,19)(H,16,17,21).

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

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 347.43 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 39025508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).