(Z)-N'-(2-chloroacetyl)-3-(3-methylthiophen-2-yl)prop-2-enehydrazide

C10H11ClN2O2S — CID 6141778

IUPAC(Z)-N'-(2-chloroacetyl)-3-(3-methylthiophen-2-yl)prop-2-enehydrazide
SMILESCc1ccsc1/C=C\C(=O)NNC(=O)CCl
InChIInChI=1S/C10H11ClN2O2S/c1-7-4-5-16-8(7)2-3-9(14)12-13-10(15)6-11/h2-5H,6H2,1H3,(H,12,14)(H,13,15)/b3-2-
InChIKeyUIVDXUGTDHQRMO-IHWYPQMZSA-N
MW258.73 g/mol
LogP1.46
Rot. Bonds3

About (Z)-N'-(2-chloroacetyl)-3-(3-methylthiophen-2-yl)prop-2-enehydrazide

(Z)-N'-(2-chloroacetyl)-3-(3-methylthiophen-2-yl)prop-2-enehydrazide (PubChem CID 6141778) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is (Z)-N'-(2-chloroacetyl)-3-(3-methylthiophen-2-yl)prop-2-enehydrazide.

Molecular Properties

Compound Name(Z)-N'-(2-chloroacetyl)-3-(3-methylthiophen-2-yl)prop-2-enehydrazide
PubChem CID6141778
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name(Z)-N'-(2-chloroacetyl)-3-(3-methylthiophen-2-yl)prop-2-enehydrazide
SMILESCc1ccsc1/C=C\C(=O)NNC(=O)CCl
InChIInChI=1S/C10H11ClN2O2S/c1-7-4-5-16-8(7)2-3-9(14)12-13-10(15)6-11/h2-5H,6H2,1H3,(H,12,14)(H,13,15)/b3-2-
InChIKeyUIVDXUGTDHQRMO-IHWYPQMZSA-N
XLogP1.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 76872160
(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl chloride
CID 13100384
(E)-N-ethyl-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 60636518
(E)-3-(3-methylthiophen-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
CID 9078172
2-methyl-N'-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]benzohydrazide
CID 9220828
(E)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 107847318
N-[(2R)-1-hydroxypropan-2-yl]-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 79027874
(E)-N-(3-hydroxypentyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 115703620
5-[3-(3-methylthiophen-2-yl)prop-2-enoylamino]pentanoic acid
CID 76931596
1-methyl-N'-[3-(3-methylthiophen-2-yl)prop-2-enoyl]pyrrole-2-carbohydrazide
CID 73393414
(E)-N-(2-ethylbutyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 113232022
4-[[3-(3-methylthiophen-2-yl)prop-2-enoylamino]methyl]cyclohexane-1-carboxylic acid
CID 79526390

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-(2-chloroacetyl)-3-(3-methylthiophen-2-yl)prop-2-enehydrazide?
The IUPAC name of (Z)-N'-(2-chloroacetyl)-3-(3-methylthiophen-2-yl)prop-2-enehydrazide (CID 6141778) is (Z)-N'-(2-chloroacetyl)-3-(3-methylthiophen-2-yl)prop-2-enehydrazide.
What is the SMILES notation for (Z)-N'-(2-chloroacetyl)-3-(3-methylthiophen-2-yl)prop-2-enehydrazide?
The canonical SMILES for (Z)-N'-(2-chloroacetyl)-3-(3-methylthiophen-2-yl)prop-2-enehydrazide is Cc1ccsc1/C=C\C(=O)NNC(=O)CCl.
What is the InChIKey of (Z)-N'-(2-chloroacetyl)-3-(3-methylthiophen-2-yl)prop-2-enehydrazide?
The InChIKey is UIVDXUGTDHQRMO-IHWYPQMZSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c1-7-4-5-16-8(7)2-3-9(14)12-13-10(15)6-11/h2-5H,6H2,1H3,(H,12,14)(H,13,15)/b3-2-.
What are the key properties of (Z)-N'-(2-chloroacetyl)-3-(3-methylthiophen-2-yl)prop-2-enehydrazide?
(Z)-N'-(2-chloroacetyl)-3-(3-methylthiophen-2-yl)prop-2-enehydrazide has a molecular weight of 258.73 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-(2-chloroacetyl)-3-(3-methylthiophen-2-yl)prop-2-enehydrazide is sourced from PubChem (CID 6141778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).