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

C17H14N2OS2 — CID 71892659

IUPACN-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(C=Cc1nccs1)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C17H14N2OS2/c20-15(8-9-16-18-10-12-22-16)19-17(14-7-4-11-21-14)13-5-2-1-3-6-13/h1-12,17H,(H,19,20)
InChIKeyYOUXQUSLDNQQDZ-UHFFFAOYSA-N
MW326.45 g/mol
LogP4.12
Rot. Bonds5

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

N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 71892659) has the molecular formula C17H14N2OS2 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID71892659
Molecular FormulaC17H14N2OS2
Molecular Weight326.45 g/mol
Exact Mass326.05
IUPAC NameN-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(C=Cc1nccs1)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C17H14N2OS2/c20-15(8-9-16-18-10-12-22-16)19-17(14-7-4-11-21-14)13-5-2-1-3-6-13/h1-12,17H,(H,19,20)
InChIKeyYOUXQUSLDNQQDZ-UHFFFAOYSA-N
XLogP4.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 54.12
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

(E)-3-(4-fluorophenyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]prop-2-enamide
CID 8853725
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-quinoxalin-2-ylprop-2-enamide
CID 76884420
(E)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 24597134
2,2,2-trifluoro-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 62733554
(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[phenyl(thiophen-2-yl)methyl]prop-2-enamide
CID 46566075
(E)-3-(1,3-thiazol-2-yl)(1,2,3-13C3)prop-2-enoic acid
CID 171379273
(E)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 46565152
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate
CID 13090015
(E)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 33087482
3-(furan-2-yl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide
CID 171130654
2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676

Frequently Asked Questions

What is the IUPAC name of N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-2-yl)prop-2-enamide (CID 71892659) is N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-2-yl)prop-2-enamide is O=C(C=Cc1nccs1)NC(c1ccccc1)c1cccs1.
What is the InChIKey of N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is YOUXQUSLDNQQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS2/c20-15(8-9-16-18-10-12-22-16)19-17(14-7-4-11-21-14)13-5-2-1-3-6-13/h1-12,17H,(H,19,20).
What are the key properties of N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-2-yl)prop-2-enamide?
N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 326.45 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 71892659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).