N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide

C19H17N3O2S — CID 2603902

IUPACN-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
SMILESCc1cc(-c2csc(NC(=O)c3cc4ccccc4o3)n2)c(C)n1C
InChIInChI=1S/C19H17N3O2S/c1-11-8-14(12(2)22(11)3)15-10-25-19(20-15)21-18(23)17-9-13-6-4-5-7-16(13)24-17/h4-10H,1-3H3,(H,20,21,23)
InChIKeyZYEOSZLDYSJYTQ-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.76
Rot. Bonds3

About N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide

N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 2603902) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
PubChem CID2603902
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
SMILESCc1cc(-c2csc(NC(=O)c3cc4ccccc4o3)n2)c(C)n1C
InChIInChI=1S/C19H17N3O2S/c1-11-8-14(12(2)22(11)3)15-10-25-19(20-15)21-18(23)17-9-13-6-4-5-7-16(13)24-17/h4-10H,1-3H3,(H,20,21,23)
InChIKeyZYEOSZLDYSJYTQ-UHFFFAOYSA-N
XLogP4.76
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide (CID 2603902) is N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide is Cc1cc(-c2csc(NC(=O)c3cc4ccccc4o3)n2)c(C)n1C.
What is the InChIKey of N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is ZYEOSZLDYSJYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-11-8-14(12(2)22(11)3)15-10-25-19(20-15)21-18(23)17-9-13-6-4-5-7-16(13)24-17/h4-10H,1-3H3,(H,20,21,23).
What are the key properties of N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2603902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).