(Z)-2-cyano-N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide

C10H10N2OS — CID 19183490

IUPAC(Z)-2-cyano-N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide
SMILESCNC(=O)/C(C#N)=C\c1sccc1C
InChIInChI=1S/C10H10N2OS/c1-7-3-4-14-9(7)5-8(6-11)10(13)12-2/h3-5H,1-2H3,(H,12,13)/b8-5-
InChIKeyZJTLQPBCKVLRSA-YVMONPNESA-N
MW206.27 g/mol
LogP1.71
Rot. Bonds2

About (Z)-2-cyano-N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide

(Z)-2-cyano-N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide (PubChem CID 19183490) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is (Z)-2-cyano-N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide
PubChem CID19183490
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name(Z)-2-cyano-N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide
SMILESCNC(=O)/C(C#N)=C\c1sccc1C
InChIInChI=1S/C10H10N2OS/c1-7-3-4-14-9(7)5-8(6-11)10(13)12-2/h3-5H,1-2H3,(H,12,13)/b8-5-
InChIKeyZJTLQPBCKVLRSA-YVMONPNESA-N
XLogP1.71
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-cyano-N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-cyano-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 708134
(E)-2-cyano-3-(3-methylthiophen-2-yl)-N-prop-2-enylprop-2-enamide
CID 2132194
(E)-2-cyano-N,N-dimethyl-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 7326891
(E)-2-(furan-2-carbonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile
CID 9335518
(E)-2-cyano-3-(3-methylthiophen-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 958228
2-cyano-N-(furan-2-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 2876439
(E)-N-(3-chloro-4-fluorophenyl)-2-cyano-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 7969625
(Z)-2-cyano-3-(3-methylthiophen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 789351
ethyl 2-[[(E)-2-cyano-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 21382496
(E)-2-cyano-N-[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 9335195
2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 5226150
(E)-2-cyano-3-(3-methylthiophen-2-yl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide
CID 6072000

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide (CID 19183490) is (Z)-2-cyano-N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide is CNC(=O)/C(C#N)=C\c1sccc1C.
What is the InChIKey of (Z)-2-cyano-N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is ZJTLQPBCKVLRSA-YVMONPNESA-N. The full InChI is InChI=1S/C10H10N2OS/c1-7-3-4-14-9(7)5-8(6-11)10(13)12-2/h3-5H,1-2H3,(H,12,13)/b8-5-.
What are the key properties of (Z)-2-cyano-N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide?
(Z)-2-cyano-N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 206.27 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 19183490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).