1-methyl-N'-[3-(3-methylthiophen-2-yl)prop-2-enoyl]pyrrole-2-carbohydrazide

C14H15N3O2S — CID 73393414

IUPAC1-methyl-N'-[3-(3-methylthiophen-2-yl)prop-2-enoyl]pyrrole-2-carbohydrazide
SMILESCc1ccsc1C=CC(=O)NNC(=O)c1cccn1C
InChIInChI=1S/C14H15N3O2S/c1-10-7-9-20-12(10)5-6-13(18)15-16-14(19)11-4-3-8-17(11)2/h3-9H,1-2H3,(H,15,18)(H,16,19)
InChIKeyAMESZZRQAYNZKH-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.87
Rot. Bonds3

About 1-methyl-N'-[3-(3-methylthiophen-2-yl)prop-2-enoyl]pyrrole-2-carbohydrazide

1-methyl-N'-[3-(3-methylthiophen-2-yl)prop-2-enoyl]pyrrole-2-carbohydrazide (PubChem CID 73393414) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-methyl-N'-[3-(3-methylthiophen-2-yl)prop-2-enoyl]pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-[3-(3-methylthiophen-2-yl)prop-2-enoyl]pyrrole-2-carbohydrazide
PubChem CID73393414
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name1-methyl-N'-[3-(3-methylthiophen-2-yl)prop-2-enoyl]pyrrole-2-carbohydrazide
SMILESCc1ccsc1C=CC(=O)NNC(=O)c1cccn1C
InChIInChI=1S/C14H15N3O2S/c1-10-7-9-20-12(10)5-6-13(18)15-16-14(19)11-4-3-8-17(11)2/h3-9H,1-2H3,(H,15,18)(H,16,19)
InChIKeyAMESZZRQAYNZKH-UHFFFAOYSA-N
XLogP1.87
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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N'-((1-Methyl-1H-pyrrol-2-YL)methylene)-2-(2-thienyl)acetohydrazide
CID 6862500
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide
CID 6880392
2-(1-Methyl-1H-pyrrol-2-YL)-N'-(1-(2-thienyl)ethylidene)acetohydrazide
CID 5395305
N'-[(E)-1-(3-pyridinyl)ethylidene]-2-thiophenecarbohydrazide
CID 5395062
N-[(E)-(5-methylthiophen-2-yl)methylideneamino]pyridine-2-carboxamide
CID 6878933
Pyridine-2-carboxylic acid N'-(thiophene-2-carbonyl)-hydrazide
CID 793915
N-hydroxy-6-(1-methylpyrrole-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
CID 58157746
N'-[(1-methyl-1H-pyrrol-2-yl)methylene]-5-propyl-3-thiophenecarbohydrazide
CID 9563604
N'-[(E)-1-(4-pyridinyl)ethylidene]-2-thiophenecarbohydrazide
CID 5392688
2-(2-benzoyl-1H-pyrrol-1-yl)-N-(thien-2-ylmethyl)acetamide
CID 3239359

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N'-[3-(3-methylthiophen-2-yl)prop-2-enoyl]pyrrole-2-carbohydrazide?
The IUPAC name of 1-methyl-N'-[3-(3-methylthiophen-2-yl)prop-2-enoyl]pyrrole-2-carbohydrazide (CID 73393414) is 1-methyl-N'-[3-(3-methylthiophen-2-yl)prop-2-enoyl]pyrrole-2-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-[3-(3-methylthiophen-2-yl)prop-2-enoyl]pyrrole-2-carbohydrazide?
The canonical SMILES for 1-methyl-N'-[3-(3-methylthiophen-2-yl)prop-2-enoyl]pyrrole-2-carbohydrazide is Cc1ccsc1C=CC(=O)NNC(=O)c1cccn1C.
What is the InChIKey of 1-methyl-N'-[3-(3-methylthiophen-2-yl)prop-2-enoyl]pyrrole-2-carbohydrazide?
The InChIKey is AMESZZRQAYNZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-10-7-9-20-12(10)5-6-13(18)15-16-14(19)11-4-3-8-17(11)2/h3-9H,1-2H3,(H,15,18)(H,16,19).
What are the key properties of 1-methyl-N'-[3-(3-methylthiophen-2-yl)prop-2-enoyl]pyrrole-2-carbohydrazide?
1-methyl-N'-[3-(3-methylthiophen-2-yl)prop-2-enoyl]pyrrole-2-carbohydrazide has a molecular weight of 289.36 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-[3-(3-methylthiophen-2-yl)prop-2-enoyl]pyrrole-2-carbohydrazide is sourced from PubChem (CID 73393414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).