(3R,5R)-5-[2-(2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one

C19H24N2O3S — CID 1497982

IUPAC(3R,5R)-5-[2-(2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one
SMILESCOc1ccccc1Nc1ncc([C@@]2(C)C[C@@H](CC(C)C)C(=O)O2)s1
InChIInChI=1S/C19H24N2O3S/c1-12(2)9-13-10-19(3,24-17(13)22)16-11-20-18(25-16)21-14-7-5-6-8-15(14)23-4/h5-8,11-13H,9-10H2,1-4H3,(H,20,21)/t13-,19-/m1/s1
InChIKeyNBDUSUIBKVYLBV-BFUOFWGJSA-N
MW360.48 g/mol
LogP4.72
Rot. Bonds6

About (3R,5R)-5-[2-(2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one

(3R,5R)-5-[2-(2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one (PubChem CID 1497982) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is (3R,5R)-5-[2-(2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-5-[2-(2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one
PubChem CID1497982
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name(3R,5R)-5-[2-(2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one
SMILESCOc1ccccc1Nc1ncc([C@@]2(C)C[C@@H](CC(C)C)C(=O)O2)s1
InChIInChI=1S/C19H24N2O3S/c1-12(2)9-13-10-19(3,24-17(13)22)16-11-20-18(25-16)21-14-7-5-6-8-15(14)23-4/h5-8,11-13H,9-10H2,1-4H3,(H,20,21)/t13-,19-/m1/s1
InChIKeyNBDUSUIBKVYLBV-BFUOFWGJSA-N
XLogP4.72
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one
CID 3800975
2-N-(2-methoxyphenyl)-1,3-thiazole-2,5-diamine
CID 102767348
(3S,5R,8S)-3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
CID 7069634
(3S,5R)-3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-3,8,8-trimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
CID 1002082
3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-3-methyl-8-(propoxymethyl)-2,7-dioxaspiro[4.4]nonane-1,6-dione
CID 15992198
2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 166222120
N-cycloheptyl-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 4809666
N,N-diethyl-6-(2-methoxyanilino)pyridine-3-sulfonamide
CID 5267780
2-(2-methoxyanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82065234
3,3-difluoro-5-[(2-methoxyanilino)methyl]oxolan-2-one
CID 106492239
N-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 2363426
3-(2-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one
CID 749378

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[2-(2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one?
The IUPAC name of (3R,5R)-5-[2-(2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one (CID 1497982) is (3R,5R)-5-[2-(2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one.
What is the SMILES notation for (3R,5R)-5-[2-(2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one?
The canonical SMILES for (3R,5R)-5-[2-(2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one is COc1ccccc1Nc1ncc([C@@]2(C)C[C@@H](CC(C)C)C(=O)O2)s1.
What is the InChIKey of (3R,5R)-5-[2-(2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one?
The InChIKey is NBDUSUIBKVYLBV-BFUOFWGJSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-12(2)9-13-10-19(3,24-17(13)22)16-11-20-18(25-16)21-14-7-5-6-8-15(14)23-4/h5-8,11-13H,9-10H2,1-4H3,(H,20,21)/t13-,19-/m1/s1.
What are the key properties of (3R,5R)-5-[2-(2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one?
(3R,5R)-5-[2-(2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one has a molecular weight of 360.48 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[2-(2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-3-(2-methylpropyl)oxolan-2-one is sourced from PubChem (CID 1497982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).