2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

C13H11N3O2S — CID 175742864

IUPAC2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOc1ccccc1-c1nc2[nH]c(C(N)=O)cc2s1
InChIInChI=1S/C13H11N3O2S/c1-18-9-5-3-2-4-7(9)13-16-12-10(19-13)6-8(15-12)11(14)17/h2-6,15H,1H3,(H2,14,17)
InChIKeyAWCJHTPLRPESQH-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.40
Rot. Bonds3

About 2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 175742864) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID175742864
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOc1ccccc1-c1nc2[nH]c(C(N)=O)cc2s1
InChIInChI=1S/C13H11N3O2S/c1-18-9-5-3-2-4-7(9)13-16-12-10(19-13)6-8(15-12)11(14)17/h2-6,15H,1H3,(H2,14,17)
InChIKeyAWCJHTPLRPESQH-UHFFFAOYSA-N
XLogP2.40
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (CID 175742864) is 2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is COc1ccccc1-c1nc2[nH]c(C(N)=O)cc2s1.
What is the InChIKey of 2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is AWCJHTPLRPESQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-18-9-5-3-2-4-7(9)13-16-12-10(19-13)6-8(15-12)11(14)17/h2-6,15H,1H3,(H2,14,17).
What are the key properties of 2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 273.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 175742864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).