N'-[(E)-3-cyclopropylbut-2-enoyl]-5-methylthiophene-2-carbohydrazide

C13H16N2O2S — CID 99840994

IUPACN'-[(E)-3-cyclopropylbut-2-enoyl]-5-methylthiophene-2-carbohydrazide
SMILESC/C(=C\C(=O)NNC(=O)c1ccc(C)s1)C1CC1
InChIInChI=1S/C13H16N2O2S/c1-8(10-4-5-10)7-12(16)14-15-13(17)11-6-3-9(2)18-11/h3,6-7,10H,4-5H2,1-2H3,(H,14,16)(H,15,17)/b8-7+
InChIKeySOJPBMBWXDAXHE-BQYQJAHWSA-N
MW264.35 g/mol
LogP2.17
Rot. Bonds3

About N'-[(E)-3-cyclopropylbut-2-enoyl]-5-methylthiophene-2-carbohydrazide

N'-[(E)-3-cyclopropylbut-2-enoyl]-5-methylthiophene-2-carbohydrazide (PubChem CID 99840994) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N'-[(E)-3-cyclopropylbut-2-enoyl]-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-cyclopropylbut-2-enoyl]-5-methylthiophene-2-carbohydrazide
PubChem CID99840994
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN'-[(E)-3-cyclopropylbut-2-enoyl]-5-methylthiophene-2-carbohydrazide
SMILESC/C(=C\C(=O)NNC(=O)c1ccc(C)s1)C1CC1
InChIInChI=1S/C13H16N2O2S/c1-8(10-4-5-10)7-12(16)14-15-13(17)11-6-3-9(2)18-11/h3,6-7,10H,4-5H2,1-2H3,(H,14,16)(H,15,17)/b8-7+
InChIKeySOJPBMBWXDAXHE-BQYQJAHWSA-N
XLogP2.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-benzoyl-5-methylthiophene-2-carbohydrazide
CID 4808936
ethyl N-[(5-methylthiophene-2-carbonyl)amino]carbamate
CID 30948448
2-(1-cyclopropylethenyl)-5-methylthiophene
CID 174334500
N'-(5-methylthiophene-2-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 31845773
N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 30905433
[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 119561429
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylthiophene-2-carboxamide
CID 104957425
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[(5-methylthiophene-2-carbonyl)amino]thiourea
CID 98331191
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide
CID 26662526
5-methyl-N-[2-[(3-methylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 114549809
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylthiophene-2-carboxamide
CID 65118919

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-cyclopropylbut-2-enoyl]-5-methylthiophene-2-carbohydrazide?
The IUPAC name of N'-[(E)-3-cyclopropylbut-2-enoyl]-5-methylthiophene-2-carbohydrazide (CID 99840994) is N'-[(E)-3-cyclopropylbut-2-enoyl]-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-cyclopropylbut-2-enoyl]-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for N'-[(E)-3-cyclopropylbut-2-enoyl]-5-methylthiophene-2-carbohydrazide is C/C(=C\C(=O)NNC(=O)c1ccc(C)s1)C1CC1.
What is the InChIKey of N'-[(E)-3-cyclopropylbut-2-enoyl]-5-methylthiophene-2-carbohydrazide?
The InChIKey is SOJPBMBWXDAXHE-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-8(10-4-5-10)7-12(16)14-15-13(17)11-6-3-9(2)18-11/h3,6-7,10H,4-5H2,1-2H3,(H,14,16)(H,15,17)/b8-7+.
What are the key properties of N'-[(E)-3-cyclopropylbut-2-enoyl]-5-methylthiophene-2-carbohydrazide?
N'-[(E)-3-cyclopropylbut-2-enoyl]-5-methylthiophene-2-carbohydrazide has a molecular weight of 264.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-cyclopropylbut-2-enoyl]-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 99840994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).