2-amino-5-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide

C10H11N3OS — CID 59285988

IUPAC2-amino-5-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide
SMILESCc1ccc(-c2cc(C(N)=O)c(N)[nH]2)s1
InChIInChI=1S/C10H11N3OS/c1-5-2-3-8(15-5)7-4-6(10(12)14)9(11)13-7/h2-4,13H,11H2,1H3,(H2,12,14)
InChIKeyZTKAADBIOSHUEV-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.73
Rot. Bonds2

About 2-amino-5-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide

2-amino-5-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide (PubChem CID 59285988) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 2-amino-5-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide
PubChem CID59285988
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name2-amino-5-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide
SMILESCc1ccc(-c2cc(C(N)=O)c(N)[nH]2)s1
InChIInChI=1S/C10H11N3OS/c1-5-2-3-8(15-5)7-4-6(10(12)14)9(11)13-7/h2-4,13H,11H2,1H3,(H2,12,14)
InChIKeyZTKAADBIOSHUEV-UHFFFAOYSA-N
XLogP1.73
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-amino-5-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide (CID 59285988) is 2-amino-5-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-amino-5-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-amino-5-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide is Cc1ccc(-c2cc(C(N)=O)c(N)[nH]2)s1.
What is the InChIKey of 2-amino-5-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide?
The InChIKey is ZTKAADBIOSHUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-5-2-3-8(15-5)7-4-6(10(12)14)9(11)13-7/h2-4,13H,11H2,1H3,(H2,12,14).
What are the key properties of 2-amino-5-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide?
2-amino-5-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide has a molecular weight of 221.29 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 59285988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).