N-(3-tert-butyl-1,2-thiazol-5-yl)-2,6-dimethoxybenzamide

C16H20N2O3S — CID 13239369

IUPACN-(3-tert-butyl-1,2-thiazol-5-yl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cc(C(C)(C)C)ns1
InChIInChI=1S/C16H20N2O3S/c1-16(2,3)12-9-13(22-18-12)17-15(19)14-10(20-4)7-6-8-11(14)21-5/h6-9H,1-5H3,(H,17,19)
InChIKeyCRWNNQLMVILNGH-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.71
Rot. Bonds4

About N-(3-tert-butyl-1,2-thiazol-5-yl)-2,6-dimethoxybenzamide

N-(3-tert-butyl-1,2-thiazol-5-yl)-2,6-dimethoxybenzamide (PubChem CID 13239369) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-thiazol-5-yl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-thiazol-5-yl)-2,6-dimethoxybenzamide
PubChem CID13239369
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-(3-tert-butyl-1,2-thiazol-5-yl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cc(C(C)(C)C)ns1
InChIInChI=1S/C16H20N2O3S/c1-16(2,3)12-9-13(22-18-12)17-15(19)14-10(20-4)7-6-8-11(14)21-5/h6-9H,1-5H3,(H,17,19)
InChIKeyCRWNNQLMVILNGH-UHFFFAOYSA-N
XLogP3.71
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethoxy-N-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]benzamide
CID 13239364
N-(2,5-dimethylphenyl)-2,6-dimethoxybenzamide
CID 2842934
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 777660
N-(3,5-difluorophenyl)-2,6-dimethoxybenzamide
CID 2989177
2,6-dimethoxy-N-[5-(3-methylpentan-3-yl)-1,2-oxazol-3-yl]benzamide
CID 13239379
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,6-dimethoxybenzamide
CID 106180680
N-(2,6-dichlorophenyl)-2,6-dimethoxybenzamide
CID 3653582
2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776411
2,6-dimethoxybenzohydrazide
CID 2806104
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide
CID 18892483
N-(4-iodophenyl)-2,6-dimethoxybenzamide
CID 1019212
3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid
CID 769955

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-thiazol-5-yl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(3-tert-butyl-1,2-thiazol-5-yl)-2,6-dimethoxybenzamide (CID 13239369) is N-(3-tert-butyl-1,2-thiazol-5-yl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-thiazol-5-yl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(3-tert-butyl-1,2-thiazol-5-yl)-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1cc(C(C)(C)C)ns1.
What is the InChIKey of N-(3-tert-butyl-1,2-thiazol-5-yl)-2,6-dimethoxybenzamide?
The InChIKey is CRWNNQLMVILNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-16(2,3)12-9-13(22-18-12)17-15(19)14-10(20-4)7-6-8-11(14)21-5/h6-9H,1-5H3,(H,17,19).
What are the key properties of N-(3-tert-butyl-1,2-thiazol-5-yl)-2,6-dimethoxybenzamide?
N-(3-tert-butyl-1,2-thiazol-5-yl)-2,6-dimethoxybenzamide has a molecular weight of 320.41 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-thiazol-5-yl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 13239369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).