N-(2,2-dimethyloxan-4-yl)-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C19H24N2O3S — CID 56762253

IUPACN-(2,2-dimethyloxan-4-yl)-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(-c2nc(C)c(C(=O)NC3CCOC(C)(C)C3)s2)c1
InChIInChI=1S/C19H24N2O3S/c1-12-16(17(22)21-14-8-9-24-19(2,3)11-14)25-18(20-12)13-6-5-7-15(10-13)23-4/h5-7,10,14H,8-9,11H2,1-4H3,(H,21,22)
InChIKeyMLBFUABLJWTDBB-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.81
Rot. Bonds4

About N-(2,2-dimethyloxan-4-yl)-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

N-(2,2-dimethyloxan-4-yl)-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 56762253) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID56762253
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-(2,2-dimethyloxan-4-yl)-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(-c2nc(C)c(C(=O)NC3CCOC(C)(C)C3)s2)c1
InChIInChI=1S/C19H24N2O3S/c1-12-16(17(22)21-14-8-9-24-19(2,3)11-14)25-18(20-12)13-6-5-7-15(10-13)23-4/h5-7,10,14H,8-9,11H2,1-4H3,(H,21,22)
InChIKeyMLBFUABLJWTDBB-UHFFFAOYSA-N
XLogP3.81
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4S)-2,2-dimethyloxan-4-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 52902051
2-(dimethylamino)-1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 143281589
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119458090
1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
CID 82302253
2-(3,4-dimethoxyphenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119452667
2-(5-chlorothiophen-2-yl)-4-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]-1,3-thiazole-5-carboxamide
CID 164632096
2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110329457
1-[2-(3-cyclohexyloxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 169101390
1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxamide
CID 56922790
2-(3-chlorophenyl)-4-methyl-N-(7-oxoazepan-4-yl)-1,3-thiazole-5-carboxamide
CID 154864711
2-(3,4-dimethoxyphenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 42534442
N-cyclododecyl-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788187

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 56762253) is N-(2,2-dimethyloxan-4-yl)-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is COc1cccc(-c2nc(C)c(C(=O)NC3CCOC(C)(C)C3)s2)c1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is MLBFUABLJWTDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-12-16(17(22)21-14-8-9-24-19(2,3)11-14)25-18(20-12)13-6-5-7-15(10-13)23-4/h5-7,10,14H,8-9,11H2,1-4H3,(H,21,22).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(2,2-dimethyloxan-4-yl)-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56762253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).