(4-amino-5-methylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone

C10H10N2OS — CID 96617224

IUPAC(4-amino-5-methylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone
SMILESCc1sc(C(=O)c2cc[nH]c2)cc1N
InChIInChI=1S/C10H10N2OS/c1-6-8(11)4-9(14-6)10(13)7-2-3-12-5-7/h2-5,12H,11H2,1H3
InChIKeyYWARACARHMRWOE-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.20
Rot. Bonds2

About (4-amino-5-methylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone

(4-amino-5-methylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone (PubChem CID 96617224) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is (4-amino-5-methylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-methylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone
PubChem CID96617224
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name(4-amino-5-methylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone
SMILESCc1sc(C(=O)c2cc[nH]c2)cc1N
InChIInChI=1S/C10H10N2OS/c1-6-8(11)4-9(14-6)10(13)7-2-3-12-5-7/h2-5,12H,11H2,1H3
InChIKeyYWARACARHMRWOE-UHFFFAOYSA-N
XLogP2.20
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dimethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone
CID 65237167
(5-ethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone
CID 63747836
4-amino-5-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 61089790
4-amino-N-(1,3-dihydroxypropan-2-yl)-5-methylthiophene-2-carboxamide
CID 65310256
ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61310193
N-(4-amino-3-methylphenyl)-1H-pyrrole-3-carboxamide
CID 141038982
4-amino-N-(3-carbamoylphenyl)-5-methylthiophene-2-carboxamide
CID 61118215
1H-pyrrol-3-yl-(2,4,5-trimethoxyphenyl)methanone
CID 55231177
4-amino-N-(2,5-dimethylpyrazol-3-yl)-5-methylthiophene-2-carboxamide
CID 61090609
4-amino-N-(3-bromo-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 63333055
4-amino-N-[(4-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 106899155
1H-pyrrole-3-carboxamide;hydrochloride
CID 57435535

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-methylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone?
The IUPAC name of (4-amino-5-methylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone (CID 96617224) is (4-amino-5-methylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for (4-amino-5-methylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for (4-amino-5-methylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone is Cc1sc(C(=O)c2cc[nH]c2)cc1N.
What is the InChIKey of (4-amino-5-methylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone?
The InChIKey is YWARACARHMRWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-6-8(11)4-9(14-6)10(13)7-2-3-12-5-7/h2-5,12H,11H2,1H3.
What are the key properties of (4-amino-5-methylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone?
(4-amino-5-methylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone has a molecular weight of 206.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-methylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 96617224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).