4-acetyl-3-ethyl-5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide

C13H15N3O2S — CID 47265101

IUPAC4-acetyl-3-ethyl-5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)Nc2nccs2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C13H15N3O2S/c1-4-9-10(8(3)17)7(2)15-11(9)12(18)16-13-14-5-6-19-13/h5-6,15H,4H2,1-3H3,(H,14,16,18)
InChIKeyMQEICHTYJAFHOX-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.80
Rot. Bonds4

About 4-acetyl-3-ethyl-5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide

4-acetyl-3-ethyl-5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide (PubChem CID 47265101) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-acetyl-3-ethyl-5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3-ethyl-5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide
PubChem CID47265101
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name4-acetyl-3-ethyl-5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)Nc2nccs2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C13H15N3O2S/c1-4-9-10(8(3)17)7(2)15-11(9)12(18)16-13-14-5-6-19-13/h5-6,15H,4H2,1-3H3,(H,14,16,18)
InChIKeyMQEICHTYJAFHOX-UHFFFAOYSA-N
XLogP2.80
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-3-ethyl-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 47278434
2,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide
CID 20683999
3-acetyl-2-methyl-7-nitro-N-(1,3-thiazol-2-yl)-1H-indole-5-carboxamide
CID 174998906
5-methyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide
CID 110684009
4-amino-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 63107015
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
4-acetyl-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 55875784
5-ethyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 3354816
3,5-dimethyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 58458875
4-acetyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 60504904
4-acetyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 47265588
2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide
CID 42768343

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-ethyl-5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3-ethyl-5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide (CID 47265101) is 4-acetyl-3-ethyl-5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3-ethyl-5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3-ethyl-5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide is CCc1c(C(=O)Nc2nccs2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-3-ethyl-5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is MQEICHTYJAFHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-4-9-10(8(3)17)7(2)15-11(9)12(18)16-13-14-5-6-19-13/h5-6,15H,4H2,1-3H3,(H,14,16,18).
What are the key properties of 4-acetyl-3-ethyl-5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide?
4-acetyl-3-ethyl-5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-ethyl-5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47265101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).