5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyloxolan-2-one

C15H16N2O3S — CID 646701

IUPAC5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyloxolan-2-one
SMILESCOc1ccccc1Nc1nc(C2(C)CCC(=O)O2)cs1
InChIInChI=1S/C15H16N2O3S/c1-15(8-7-13(18)20-15)12-9-21-14(17-12)16-10-5-3-4-6-11(10)19-2/h3-6,9H,7-8H2,1-2H3,(H,16,17)
InChIKeyYWYWKRUAONUPOT-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.45
Rot. Bonds4

About 5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyloxolan-2-one

5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyloxolan-2-one (PubChem CID 646701) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyloxolan-2-one
PubChem CID646701
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyloxolan-2-one
SMILESCOc1ccccc1Nc1nc(C2(C)CCC(=O)O2)cs1
InChIInChI=1S/C15H16N2O3S/c1-15(8-7-13(18)20-15)12-9-21-14(17-12)16-10-5-3-4-6-11(10)19-2/h3-6,9H,7-8H2,1-2H3,(H,16,17)
InChIKeyYWYWKRUAONUPOT-UHFFFAOYSA-N
XLogP3.45
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(4-Ethoxy-phenylamino)-thiazol-4-yl]-5-methyl-3-propyl-dihydro-furan-2-one
CID 2863076
N-{4-[(2-Methoxy-phenylcarbamoyl)-methyl]-thiazol-2-yl}-propionamide
CID 864703
N-[5-[2-(2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-2-methylpentanamide
CID 11958458
N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]hexanamide
CID 11958459
N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-methylbutanamide
CID 11958460
N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylbutanamide
CID 11958461
N-[5-[2-(2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]pentanamide
CID 11958605
3-{2-[(3-Methoxyphenyl)amino]-1,3-thiazol-4-yl}-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
CID 2952635
N-(2-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine
CID 741666
1-(4-Tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 2554096
Ethyl 2-(2,5-dimethoxyanilino)-1,3-thiazole-4-carboxylate
CID 78920620
5-Methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-3-propan-2-yloxolan-2-one
CID 2871807

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyloxolan-2-one?
The IUPAC name of 5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyloxolan-2-one (CID 646701) is 5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyloxolan-2-one.
What is the SMILES notation for 5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyloxolan-2-one?
The canonical SMILES for 5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyloxolan-2-one is COc1ccccc1Nc1nc(C2(C)CCC(=O)O2)cs1.
What is the InChIKey of 5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyloxolan-2-one?
The InChIKey is YWYWKRUAONUPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-15(8-7-13(18)20-15)12-9-21-14(17-12)16-10-5-3-4-6-11(10)19-2/h3-6,9H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyloxolan-2-one?
5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyloxolan-2-one has a molecular weight of 304.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyloxolan-2-one is sourced from PubChem (CID 646701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).