(2S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide

C16H18N2O3S — CID 40620885

IUPAC(2S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)[C@@H]3CCCO3)sc2C)cc1
InChIInChI=1S/C16H18N2O3S/c1-10-14(11-5-7-12(20-2)8-6-11)17-16(22-10)18-15(19)13-4-3-9-21-13/h5-8,13H,3-4,9H2,1-2H3,(H,17,18,19)/t13-/m0/s1
InChIKeyGVIVIQGHXBFBSB-ZDUSSCGKSA-N
MW318.40 g/mol
LogP3.24
Rot. Bonds4

About (2S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide

(2S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide (PubChem CID 40620885) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is (2S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
PubChem CID40620885
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name(2S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)[C@@H]3CCCO3)sc2C)cc1
InChIInChI=1S/C16H18N2O3S/c1-10-14(11-5-7-12(20-2)8-6-11)17-16(22-10)18-15(19)13-4-3-9-21-13/h5-8,13H,3-4,9H2,1-2H3,(H,17,18,19)/t13-/m0/s1
InChIKeyGVIVIQGHXBFBSB-ZDUSSCGKSA-N
XLogP3.24
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 27234089
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 2970872
(2S)-N-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 27233014
trans-(1R,2R)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 52536385
(1R)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
CID 8780972
(3S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 8569800
1-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride
CID 119677238
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 4615365
(2R)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 41145379
(2R)-N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 167811487
4-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 1315978
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 2677955

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide (CID 40620885) is (2S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide is COc1ccc(-c2nc(NC(=O)[C@@H]3CCCO3)sc2C)cc1.
What is the InChIKey of (2S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The InChIKey is GVIVIQGHXBFBSB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-10-14(11-5-7-12(20-2)8-6-11)17-16(22-10)18-15(19)13-4-3-9-21-13/h5-8,13H,3-4,9H2,1-2H3,(H,17,18,19)/t13-/m0/s1.
What are the key properties of (2S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide?
(2S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 40620885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).