2-(2-methoxyanilino)-N-methyl-N-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-4-carboxamide

C19H24N4O4S — CID 93306448

IUPAC2-(2-methoxyanilino)-N-methyl-N-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1Nc1nc(C(=O)N(C)CC(=O)NC[C@H]2CCCO2)cs1
InChIInChI=1S/C19H24N4O4S/c1-23(11-17(24)20-10-13-6-5-9-27-13)18(25)15-12-28-19(22-15)21-14-7-3-4-8-16(14)26-2/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,20,24)(H,21,22)/t13-/m1/s1
InChIKeyMTXRADNKMMQAPW-CYBMUJFWSA-N
MW404.49 g/mol
LogP2.26
Rot. Bonds8

About 2-(2-methoxyanilino)-N-methyl-N-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-4-carboxamide

2-(2-methoxyanilino)-N-methyl-N-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 93306448) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-methyl-N-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-methyl-N-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID93306448
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name2-(2-methoxyanilino)-N-methyl-N-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1Nc1nc(C(=O)N(C)CC(=O)NC[C@H]2CCCO2)cs1
InChIInChI=1S/C19H24N4O4S/c1-23(11-17(24)20-10-13-6-5-9-27-13)18(25)15-12-28-19(22-15)21-14-7-3-4-8-16(14)26-2/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,20,24)(H,21,22)/t13-/m1/s1
InChIKeyMTXRADNKMMQAPW-CYBMUJFWSA-N
XLogP2.26
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-1-[2-(2-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 93306736
2-(4-methoxyanilino)-N-(2-methoxyethyl)-N-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 46136295
2-(4-methoxyanilino)-N-(2-methoxyethyl)-N-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]-1,3-thiazole-4-carboxamide
CID 93305116
2-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 51250549
6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343986
2-(3-methoxyanilino)-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 42813675
3-[[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125154391
N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943622
1-(2-methoxyphenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 2910234
(E)-3-(2-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 895784
2-[(2-methoxyphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133204331
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate
CID 23910544

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-methyl-N-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-methoxyanilino)-N-methyl-N-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-4-carboxamide (CID 93306448) is 2-(2-methoxyanilino)-N-methyl-N-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-methyl-N-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-methyl-N-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-4-carboxamide is COc1ccccc1Nc1nc(C(=O)N(C)CC(=O)NC[C@H]2CCCO2)cs1.
What is the InChIKey of 2-(2-methoxyanilino)-N-methyl-N-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MTXRADNKMMQAPW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-23(11-17(24)20-10-13-6-5-9-27-13)18(25)15-12-28-19(22-15)21-14-7-3-4-8-16(14)26-2/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,20,24)(H,21,22)/t13-/m1/s1.
What are the key properties of 2-(2-methoxyanilino)-N-methyl-N-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-4-carboxamide?
2-(2-methoxyanilino)-N-methyl-N-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-methyl-N-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 93306448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).