2-(1H-indole-2-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide

C14H11N3O2S — CID 147549277

IUPAC2-(1H-indole-2-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(C(=O)c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C14H11N3O2S/c1-15-13(19)11-7-20-14(17-11)12(18)10-6-8-4-2-3-5-9(8)16-10/h2-7,16H,1H3,(H,15,19)
InChIKeyFQLJUYIWNYQUES-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.21
Rot. Bonds3

About 2-(1H-indole-2-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide

2-(1H-indole-2-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 147549277) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-(1H-indole-2-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1H-indole-2-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID147549277
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name2-(1H-indole-2-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(C(=O)c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C14H11N3O2S/c1-15-13(19)11-7-20-14(17-11)12(18)10-6-8-4-2-3-5-9(8)16-10/h2-7,16H,1H3,(H,15,19)
InChIKeyFQLJUYIWNYQUES-UHFFFAOYSA-N
XLogP2.21
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indole-2-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1H-indole-2-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 147549277) is 2-(1H-indole-2-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1H-indole-2-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1H-indole-2-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide is CNC(=O)c1csc(C(=O)c2cc3ccccc3[nH]2)n1.
What is the InChIKey of 2-(1H-indole-2-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is FQLJUYIWNYQUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-15-13(19)11-7-20-14(17-11)12(18)10-6-8-4-2-3-5-9(8)16-10/h2-7,16H,1H3,(H,15,19).
What are the key properties of 2-(1H-indole-2-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide?
2-(1H-indole-2-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indole-2-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 147549277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).