N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-triethoxybenzamide

C16H22N2O4S — CID 771169

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NC2=NCCS2)cc(OCC)c1OCC
InChIInChI=1S/C16H22N2O4S/c1-4-20-12-9-11(15(19)18-16-17-7-8-23-16)10-13(21-5-2)14(12)22-6-3/h9-10H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyXCUPLAWCNOBCRC-UHFFFAOYSA-N
MW338.43 g/mol
LogP2.72
Rot. Bonds7

About N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-triethoxybenzamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-triethoxybenzamide (PubChem CID 771169) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-triethoxybenzamide
PubChem CID771169
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NC2=NCCS2)cc(OCC)c1OCC
InChIInChI=1S/C16H22N2O4S/c1-4-20-12-9-11(15(19)18-16-17-7-8-23-16)10-13(21-5-2)14(12)22-6-3/h9-10H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyXCUPLAWCNOBCRC-UHFFFAOYSA-N
XLogP2.72
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-Trimethoxy-N(2,2,2-tri-CL-1-(4,5-dihydro-1,3-thiazol-2-ylthio)ET)benzamide
CID 3436697
N-(4,5-Dihydro-2-thiazolyl)-4-(1-methylethoxy)benzamide
CID 802126
Stk520326
CID 924650
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(propan-2-yloxy)benzamide
CID 955794
4-butoxy-3-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 9101240
3,4,5-triethoxy-N-methylbenzamide
CID 2315558
N-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide
CID 2460037
Ethyl 3,4-dimethyl-2-(3,4,5-trimethoxybenzoyl)imino-1,3-thiazole-5-carboxylate
CID 2326307
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
CID 3000191
(3,4-diethoxyphenyl)(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 3235834
N-(4-Phenyl-butyl)-N''-(3,4,5-trimethoxy-benzoyl)-guanidine
CID 22149198
N-[3-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-ylidene]benzamide
CID 73669852

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-triethoxybenzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-triethoxybenzamide (CID 771169) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-triethoxybenzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)NC2=NCCS2)cc(OCC)c1OCC.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-triethoxybenzamide?
The InChIKey is XCUPLAWCNOBCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-4-20-12-9-11(15(19)18-16-17-7-8-23-16)10-13(21-5-2)14(12)22-6-3/h9-10H,4-8H2,1-3H3,(H,17,18,19).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-triethoxybenzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-triethoxybenzamide has a molecular weight of 338.43 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-triethoxybenzamide is sourced from PubChem (CID 771169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).