2-[3-methyl-4-[(3-methyloxolan-3-yl)methoxy]phenyl]-1,3-thiazole-4-carboxamide

C17H20N2O3S — CID 153401145

IUPAC2-[3-methyl-4-[(3-methyloxolan-3-yl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(-c2nc(C(N)=O)cs2)ccc1OCC1(C)CCOC1
InChIInChI=1S/C17H20N2O3S/c1-11-7-12(16-19-13(8-23-16)15(18)20)3-4-14(11)22-10-17(2)5-6-21-9-17/h3-4,7-8H,5-6,9-10H2,1-2H3,(H2,18,20)
InChIKeySUAXYWRRVPXUCJ-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.02
Rot. Bonds5

About 2-[3-methyl-4-[(3-methyloxolan-3-yl)methoxy]phenyl]-1,3-thiazole-4-carboxamide

2-[3-methyl-4-[(3-methyloxolan-3-yl)methoxy]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 153401145) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[3-methyl-4-[(3-methyloxolan-3-yl)methoxy]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-methyl-4-[(3-methyloxolan-3-yl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID153401145
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-[3-methyl-4-[(3-methyloxolan-3-yl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(-c2nc(C(N)=O)cs2)ccc1OCC1(C)CCOC1
InChIInChI=1S/C17H20N2O3S/c1-11-7-12(16-19-13(8-23-16)15(18)20)3-4-14(11)22-10-17(2)5-6-21-9-17/h3-4,7-8H,5-6,9-10H2,1-2H3,(H2,18,20)
InChIKeySUAXYWRRVPXUCJ-UHFFFAOYSA-N
XLogP3.02
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-methyl-4-[(3-methyloxolan-3-yl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 151723439
2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 1478837
2-[5-(4-carbamoyl-1,3-thiazol-2-yl)-N-(carboxymethyl)-2-methylanilino]acetic acid
CID 58135286
1-[2-[3-methyl-4-[(1-methylcyclobutyl)methoxy]phenyl]-1,3-thiazol-4-yl]-3-[(3S)-1-methylpiperidin-3-yl]urea
CID 167840619
2-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-4-carboxamide
CID 116892007
2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-ol
CID 116889737
2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 116891955
2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 116891994
2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide
CID 166273173
1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 64543606
2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbothioamide
CID 82515938
ethyl 2-(3-methyl-4-nitrophenyl)-1,3-thiazole-4-carboxylate
CID 53407355

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[(3-methyloxolan-3-yl)methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-methyl-4-[(3-methyloxolan-3-yl)methoxy]phenyl]-1,3-thiazole-4-carboxamide (CID 153401145) is 2-[3-methyl-4-[(3-methyloxolan-3-yl)methoxy]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-methyl-4-[(3-methyloxolan-3-yl)methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-methyl-4-[(3-methyloxolan-3-yl)methoxy]phenyl]-1,3-thiazole-4-carboxamide is Cc1cc(-c2nc(C(N)=O)cs2)ccc1OCC1(C)CCOC1.
What is the InChIKey of 2-[3-methyl-4-[(3-methyloxolan-3-yl)methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SUAXYWRRVPXUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-11-7-12(16-19-13(8-23-16)15(18)20)3-4-14(11)22-10-17(2)5-6-21-9-17/h3-4,7-8H,5-6,9-10H2,1-2H3,(H2,18,20).
What are the key properties of 2-[3-methyl-4-[(3-methyloxolan-3-yl)methoxy]phenyl]-1,3-thiazole-4-carboxamide?
2-[3-methyl-4-[(3-methyloxolan-3-yl)methoxy]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[(3-methyloxolan-3-yl)methoxy]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 153401145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).