N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide

C18H16N2OS2 — CID 171136538

IUPACN-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1csc(-c2ccc(CNC(=O)C=Cc3cccs3)cc2)n1
InChIInChI=1S/C18H16N2OS2/c1-13-12-23-18(20-13)15-6-4-14(5-7-15)11-19-17(21)9-8-16-3-2-10-22-16/h2-10,12H,11H2,1H3,(H,19,21)
InChIKeyLATBBZSFRBXXDF-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.51
Rot. Bonds5

About N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide

N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 171136538) has the molecular formula C18H16N2OS2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID171136538
Molecular FormulaC18H16N2OS2
Molecular Weight340.47 g/mol
Exact Mass340.07
IUPAC NameN-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1csc(-c2ccc(CNC(=O)C=Cc3cccs3)cc2)n1
InChIInChI=1S/C18H16N2OS2/c1-13-12-23-18(20-13)15-6-4-14(5-7-15)11-19-17(21)9-8-16-3-2-10-22-16/h2-10,12H,11H2,1H3,(H,19,21)
InChIKeyLATBBZSFRBXXDF-UHFFFAOYSA-N
XLogP4.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 4165696
N-[(6-methyl-2-pyridinyl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 103598251
4-[[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]benzoic acid
CID 24698656
(E)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 139582326
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 2418056
(E)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 90546808
4-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide
CID 87050246
N-[2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 87050229
(E)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 166232176
(E)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-thiophen-2-ylprop-2-enamide
CID 27708228
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 91939242
(E)-3-(3,4-dichlorophenyl)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]prop-2-enamide
CID 108761232

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide (CID 171136538) is N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide is Cc1csc(-c2ccc(CNC(=O)C=Cc3cccs3)cc2)n1.
What is the InChIKey of N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is LATBBZSFRBXXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS2/c1-13-12-23-18(20-13)15-6-4-14(5-7-15)11-19-17(21)9-8-16-3-2-10-22-16/h2-10,12H,11H2,1H3,(H,19,21).
What are the key properties of N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide?
N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 340.47 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 171136538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).