N-(1,2-thiazol-4-ylmethyl)-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide

C13H14N2OS2 — CID 166431553

IUPACN-(1,2-thiazol-4-ylmethyl)-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1cnsc1)[C@@H](C)c1cccs1
InChIInChI=1S/C13H14N2OS2/c1-3-13(16)15(8-11-7-14-18-9-11)10(2)12-5-4-6-17-12/h3-7,9-10H,1,8H2,2H3/t10-/m0/s1
InChIKeyPLGNRQJTCWMCFE-JTQLQIEISA-N
MW278.40 g/mol
LogP3.48
Rot. Bonds5

About N-(1,2-thiazol-4-ylmethyl)-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide

N-(1,2-thiazol-4-ylmethyl)-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide (PubChem CID 166431553) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(1,2-thiazol-4-ylmethyl)-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide.

Molecular Properties

Compound NameN-(1,2-thiazol-4-ylmethyl)-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide
PubChem CID166431553
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC NameN-(1,2-thiazol-4-ylmethyl)-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1cnsc1)[C@@H](C)c1cccs1
InChIInChI=1S/C13H14N2OS2/c1-3-13(16)15(8-11-7-14-18-9-11)10(2)12-5-4-6-17-12/h3-7,9-10H,1,8H2,2H3/t10-/m0/s1
InChIKeyPLGNRQJTCWMCFE-JTQLQIEISA-N
XLogP3.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[2-[benzyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]phenyl]methyl]prop-2-enamide
CID 166421865
2-chloro-N-methoxy-N-(1-thiophen-2-ylethyl)acetamide
CID 166432017
2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid
CID 65065392
N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide
CID 81408740
(3R,4S)-N-benzyl-4-(1-methylpyrazol-4-yl)-N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 120925137
N-hydroxy-N-(1-thiophen-2-ylethyl)propanamide
CID 5061929
4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide
CID 42926219
3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide
CID 62668726
N-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide
CID 134794050
1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one
CID 62040161
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 26515915
5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-carboxylic acid
CID 54980900

Frequently Asked Questions

What is the IUPAC name of N-(1,2-thiazol-4-ylmethyl)-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide?
The IUPAC name of N-(1,2-thiazol-4-ylmethyl)-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide (CID 166431553) is N-(1,2-thiazol-4-ylmethyl)-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide.
What is the SMILES notation for N-(1,2-thiazol-4-ylmethyl)-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide?
The canonical SMILES for N-(1,2-thiazol-4-ylmethyl)-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide is C=CC(=O)N(Cc1cnsc1)[C@@H](C)c1cccs1.
What is the InChIKey of N-(1,2-thiazol-4-ylmethyl)-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide?
The InChIKey is PLGNRQJTCWMCFE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14N2OS2/c1-3-13(16)15(8-11-7-14-18-9-11)10(2)12-5-4-6-17-12/h3-7,9-10H,1,8H2,2H3/t10-/m0/s1.
What are the key properties of N-(1,2-thiazol-4-ylmethyl)-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide?
N-(1,2-thiazol-4-ylmethyl)-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide has a molecular weight of 278.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-thiazol-4-ylmethyl)-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide is sourced from PubChem (CID 166431553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).