N-benzyl-2-[(Z)-1-ethoxyprop-1-enyl]-4-methyl-1,3-thiazole-5-carboxamide;ethane

C19H26N2O2S — CID 143697957

IUPACN-benzyl-2-[(Z)-1-ethoxyprop-1-enyl]-4-methyl-1,3-thiazole-5-carboxamide;ethane
SMILESC/C=C(\OCC)c1nc(C)c(C(=O)NCc2ccccc2)s1.CC
InChIInChI=1S/C17H20N2O2S.C2H6/c1-4-14(21-5-2)17-19-12(3)15(22-17)16(20)18-11-13-9-7-6-8-10-13;1-2/h4,6-10H,5,11H2,1-3H3,(H,18,20);1-2H3/b14-4-;
InChIKeyBVWLHGVYKIMANR-CYBPKNTASA-N
MW346.50 g/mol
LogP4.81
Rot. Bonds6

About N-benzyl-2-[(Z)-1-ethoxyprop-1-enyl]-4-methyl-1,3-thiazole-5-carboxamide;ethane

N-benzyl-2-[(Z)-1-ethoxyprop-1-enyl]-4-methyl-1,3-thiazole-5-carboxamide;ethane (PubChem CID 143697957) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-benzyl-2-[(Z)-1-ethoxyprop-1-enyl]-4-methyl-1,3-thiazole-5-carboxamide;ethane.

Molecular Properties

Compound NameN-benzyl-2-[(Z)-1-ethoxyprop-1-enyl]-4-methyl-1,3-thiazole-5-carboxamide;ethane
PubChem CID143697957
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-benzyl-2-[(Z)-1-ethoxyprop-1-enyl]-4-methyl-1,3-thiazole-5-carboxamide;ethane
SMILESC/C=C(\OCC)c1nc(C)c(C(=O)NCc2ccccc2)s1.CC
InChIInChI=1S/C17H20N2O2S.C2H6/c1-4-14(21-5-2)17-19-12(3)15(22-17)16(20)18-11-13-9-7-6-8-10-13;1-2/h4,6-10H,5,11H2,1-3H3,(H,18,20);1-2H3/b14-4-;
InChIKeyBVWLHGVYKIMANR-CYBPKNTASA-N
XLogP4.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
N-benzyl-4-methyl-2-(1H-pyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 73213268
N-benzyl-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468263
N-benzyl-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide
CID 1468268
2-amino-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide;N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]formamide
CID 143575799
N-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 59369678
benzene;ethyl N-benzylcarbamate
CID 67715166
N-benzyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 110386459
N-[(4-acetamidophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 24628898
N-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 91573654
N-[(4-chlorophenyl)methyl]-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936066
2-(2-chlorophenyl)-N-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39084095

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(Z)-1-ethoxyprop-1-enyl]-4-methyl-1,3-thiazole-5-carboxamide;ethane?
The IUPAC name of N-benzyl-2-[(Z)-1-ethoxyprop-1-enyl]-4-methyl-1,3-thiazole-5-carboxamide;ethane (CID 143697957) is N-benzyl-2-[(Z)-1-ethoxyprop-1-enyl]-4-methyl-1,3-thiazole-5-carboxamide;ethane.
What is the SMILES notation for N-benzyl-2-[(Z)-1-ethoxyprop-1-enyl]-4-methyl-1,3-thiazole-5-carboxamide;ethane?
The canonical SMILES for N-benzyl-2-[(Z)-1-ethoxyprop-1-enyl]-4-methyl-1,3-thiazole-5-carboxamide;ethane is C/C=C(\OCC)c1nc(C)c(C(=O)NCc2ccccc2)s1.CC.
What is the InChIKey of N-benzyl-2-[(Z)-1-ethoxyprop-1-enyl]-4-methyl-1,3-thiazole-5-carboxamide;ethane?
The InChIKey is BVWLHGVYKIMANR-CYBPKNTASA-N. The full InChI is InChI=1S/C17H20N2O2S.C2H6/c1-4-14(21-5-2)17-19-12(3)15(22-17)16(20)18-11-13-9-7-6-8-10-13;1-2/h4,6-10H,5,11H2,1-3H3,(H,18,20);1-2H3/b14-4-;.
What are the key properties of N-benzyl-2-[(Z)-1-ethoxyprop-1-enyl]-4-methyl-1,3-thiazole-5-carboxamide;ethane?
N-benzyl-2-[(Z)-1-ethoxyprop-1-enyl]-4-methyl-1,3-thiazole-5-carboxamide;ethane has a molecular weight of 346.50 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(Z)-1-ethoxyprop-1-enyl]-4-methyl-1,3-thiazole-5-carboxamide;ethane is sourced from PubChem (CID 143697957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).