(E)-N-(2-hydroxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylprop-2-enamide

C12H16N2O2S — CID 115775601

IUPAC(E)-N-(2-hydroxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CCO)C(=O)/C=C/c1csc(C)n1
InChIInChI=1S/C12H16N2O2S/c1-3-6-14(7-8-15)12(16)5-4-11-9-17-10(2)13-11/h3-5,9,15H,1,6-8H2,2H3/b5-4+
InChIKeyJRPOELHHVATTQQ-SNAWJCMRSA-N
MW252.34 g/mol
LogP1.47
Rot. Bonds6

About (E)-N-(2-hydroxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylprop-2-enamide

(E)-N-(2-hydroxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylprop-2-enamide (PubChem CID 115775601) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is (E)-N-(2-hydroxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylprop-2-enamide
PubChem CID115775601
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name(E)-N-(2-hydroxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CCO)C(=O)/C=C/c1csc(C)n1
InChIInChI=1S/C12H16N2O2S/c1-3-6-14(7-8-15)12(16)5-4-11-9-17-10(2)13-11/h3-5,9,15H,1,6-8H2,2H3/b5-4+
InChIKeyJRPOELHHVATTQQ-SNAWJCMRSA-N
XLogP1.47
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxypropyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 76940068
3-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-propan-2-ylamino]propanoic acid
CID 60830572
methyl 3-[methyl-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]propanoate
CID 54997523
(E)-N-(2-hydroxyethyl)-N-prop-2-enyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 115776283
methyl 3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 57148702
N,N-bis(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60653359
(E)-N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 95301448
(E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 131237074
[3-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]oxy-2-oxopropyl] (E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 24671230
N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 78836517
(E)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 41438329
(E)-N-(5-hydroxypentyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 107319083

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylprop-2-enamide?
The IUPAC name of (E)-N-(2-hydroxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylprop-2-enamide (CID 115775601) is (E)-N-(2-hydroxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylprop-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylprop-2-enamide is C=CCN(CCO)C(=O)/C=C/c1csc(C)n1.
What is the InChIKey of (E)-N-(2-hydroxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylprop-2-enamide?
The InChIKey is JRPOELHHVATTQQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-3-6-14(7-8-15)12(16)5-4-11-9-17-10(2)13-11/h3-5,9,15H,1,6-8H2,2H3/b5-4+.
What are the key properties of (E)-N-(2-hydroxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylprop-2-enamide?
(E)-N-(2-hydroxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylprop-2-enamide has a molecular weight of 252.34 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 115775601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).