N-[3-ethoxy-4-methyl-2-(3-methylphenyl)-2H-1,3-thiazol-5-yl]formamide

C14H18N2O2S — CID 174871527

IUPACN-[3-ethoxy-4-methyl-2-(3-methylphenyl)-2H-1,3-thiazol-5-yl]formamide
SMILESCCON1C(C)=C(NC=O)SC1c1cccc(C)c1
InChIInChI=1S/C14H18N2O2S/c1-4-18-16-11(3)13(15-9-17)19-14(16)12-7-5-6-10(2)8-12/h5-9,14H,4H2,1-3H3,(H,15,17)
InChIKeyJVMSXZKOIBHQCS-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.93
Rot. Bonds5

About N-[3-ethoxy-4-methyl-2-(3-methylphenyl)-2H-1,3-thiazol-5-yl]formamide

N-[3-ethoxy-4-methyl-2-(3-methylphenyl)-2H-1,3-thiazol-5-yl]formamide (PubChem CID 174871527) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[3-ethoxy-4-methyl-2-(3-methylphenyl)-2H-1,3-thiazol-5-yl]formamide.

Molecular Properties

Compound NameN-[3-ethoxy-4-methyl-2-(3-methylphenyl)-2H-1,3-thiazol-5-yl]formamide
PubChem CID174871527
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-[3-ethoxy-4-methyl-2-(3-methylphenyl)-2H-1,3-thiazol-5-yl]formamide
SMILESCCON1C(C)=C(NC=O)SC1c1cccc(C)c1
InChIInChI=1S/C14H18N2O2S/c1-4-18-16-11(3)13(15-9-17)19-14(16)12-7-5-6-10(2)8-12/h5-9,14H,4H2,1-3H3,(H,15,17)
InChIKeyJVMSXZKOIBHQCS-UHFFFAOYSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methylphenyl)cyclopropyl]formamide
CID 154132778
cis-ethyl (1R,2R)-2-(3-methylphenyl)-1-[(E)-3-oxoprop-1-enyl]cyclopropane-1-carboxylate
CID 122368346
N-ethyl-2-[2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
CID 42815580
3-ethoxy-2,6-dimethyl-2H-1,3-benzothiazole
CID 171036663
(2S,3S)-2-diethoxyphosphoryl-3-(3-methylphenyl)oxirane
CID 101084246
N-(2,2-diethoxyethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 79548122
2,2-diethyl-3-(3-methylphenyl)cyclobutan-1-one
CID 81416308
5-methyl-3-[3-(methylamino)propyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 42795822
(2R)-2-(3-methylphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
CID 93072504
5-ethyl-4-(3-methylphenyl)-1,3-thiazole-2-carbaldehyde
CID 105489991
ethane;5-(3-methylphenyl)-4,5-dihydro-1,3-oxazole;pyrrolidine-1-carbaldehyde
CID 143615513
1-(4-ethylsulfonylcyclohexyl)-3-methylbenzene
CID 142555021

Frequently Asked Questions

What is the IUPAC name of N-[3-ethoxy-4-methyl-2-(3-methylphenyl)-2H-1,3-thiazol-5-yl]formamide?
The IUPAC name of N-[3-ethoxy-4-methyl-2-(3-methylphenyl)-2H-1,3-thiazol-5-yl]formamide (CID 174871527) is N-[3-ethoxy-4-methyl-2-(3-methylphenyl)-2H-1,3-thiazol-5-yl]formamide.
What is the SMILES notation for N-[3-ethoxy-4-methyl-2-(3-methylphenyl)-2H-1,3-thiazol-5-yl]formamide?
The canonical SMILES for N-[3-ethoxy-4-methyl-2-(3-methylphenyl)-2H-1,3-thiazol-5-yl]formamide is CCON1C(C)=C(NC=O)SC1c1cccc(C)c1.
What is the InChIKey of N-[3-ethoxy-4-methyl-2-(3-methylphenyl)-2H-1,3-thiazol-5-yl]formamide?
The InChIKey is JVMSXZKOIBHQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-4-18-16-11(3)13(15-9-17)19-14(16)12-7-5-6-10(2)8-12/h5-9,14H,4H2,1-3H3,(H,15,17).
What are the key properties of N-[3-ethoxy-4-methyl-2-(3-methylphenyl)-2H-1,3-thiazol-5-yl]formamide?
N-[3-ethoxy-4-methyl-2-(3-methylphenyl)-2H-1,3-thiazol-5-yl]formamide has a molecular weight of 278.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethoxy-4-methyl-2-(3-methylphenyl)-2H-1,3-thiazol-5-yl]formamide is sourced from PubChem (CID 174871527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).