2-[(2,3-dimethylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

C16H20N2O2S — CID 24712428

IUPAC2-[(2,3-dimethylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1cccc(OCc2nc(C(=O)NC(C)C)cs2)c1C
InChIInChI=1S/C16H20N2O2S/c1-10(2)17-16(19)13-9-21-15(18-13)8-20-14-7-5-6-11(3)12(14)4/h5-7,9-10H,8H2,1-4H3,(H,17,19)
InChIKeyWOGOAIIOOKRYHZ-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.48
Rot. Bonds5

About 2-[(2,3-dimethylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

2-[(2,3-dimethylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 24712428) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[(2,3-dimethylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2,3-dimethylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID24712428
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-[(2,3-dimethylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1cccc(OCc2nc(C(=O)NC(C)C)cs2)c1C
InChIInChI=1S/C16H20N2O2S/c1-10(2)17-16(19)13-9-21-15(18-13)8-20-14-7-5-6-11(3)12(14)4/h5-7,9-10H,8H2,1-4H3,(H,17,19)
InChIKeyWOGOAIIOOKRYHZ-UHFFFAOYSA-N
XLogP3.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxo-1lambda6-thiolan-3-yl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 17441991
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472640
[2-(4-Methoxybenzyl)-1,3-thiazol-4-yl](morpholino)methanone
CID 1472612
2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-4-carboxamide
CID 71292775
N-(2-hydroxyethyl)-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-4-carboxamide
CID 91754897
N-[(3s)-1,1-Dioxidotetrahydrothiophen-3-Yl]-2-[(4-Methylphenoxy)methyl]-1,3-Thiazole-4-Carboxamide
CID 40803889
N-({2-[(4-Methylphenoxy)methyl]-1,3-thiazol-4-YL}methyl)-N-(2-methylpropyl)acetamide
CID 24714429
(R)-3-Cyclohexylmethylsulfanyl-2-[(thiazole-4-carbonyl)-amino]-propionic acid 4-methoxy-benzyl ester
CID 44384252
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide
CID 46009264
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)butanamide
CID 168269504
2-bromo-N-[2-(3,4-diethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 46947866
2-[3-[2-[2-(3-Fluorophenyl)ethylamino]ethoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 58276311

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2,3-dimethylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 24712428) is 2-[(2,3-dimethylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2,3-dimethylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2,3-dimethylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is Cc1cccc(OCc2nc(C(=O)NC(C)C)cs2)c1C.
What is the InChIKey of 2-[(2,3-dimethylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is WOGOAIIOOKRYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10(2)17-16(19)13-9-21-15(18-13)8-20-14-7-5-6-11(3)12(14)4/h5-7,9-10H,8H2,1-4H3,(H,17,19).
What are the key properties of 2-[(2,3-dimethylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-[(2,3-dimethylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24712428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).