2-(3-methoxyanilino)-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,3-thiazole-4-carboxamide

C19H24N4O4S — CID 42813675

IUPAC2-(3-methoxyanilino)-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(Nc2nc(C(=O)NC(C)C(=O)NCC3CCCO3)cs2)c1
InChIInChI=1S/C19H24N4O4S/c1-12(17(24)20-10-15-7-4-8-27-15)21-18(25)16-11-28-19(23-16)22-13-5-3-6-14(9-13)26-2/h3,5-6,9,11-12,15H,4,7-8,10H2,1-2H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyZXTHRGBVOUCOMD-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.31
Rot. Bonds8

About 2-(3-methoxyanilino)-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,3-thiazole-4-carboxamide

2-(3-methoxyanilino)-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 42813675) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyanilino)-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID42813675
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name2-(3-methoxyanilino)-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(Nc2nc(C(=O)NC(C)C(=O)NCC3CCCO3)cs2)c1
InChIInChI=1S/C19H24N4O4S/c1-12(17(24)20-10-15-7-4-8-27-15)21-18(25)16-11-28-19(23-16)22-13-5-3-6-14(9-13)26-2/h3,5-6,9,11-12,15H,4,7-8,10H2,1-2H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyZXTHRGBVOUCOMD-UHFFFAOYSA-N
XLogP2.31
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-methoxyanilino)-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide
CID 42813598
6-(3-methoxyanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365935
2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 19203851
N-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide
CID 93305053
2-(4-methoxyanilino)-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide
CID 42813617
N-[[(2R)-oxolan-2-yl]methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 40981814
2-(4-methoxyanilino)-N-(2-methoxyethyl)-N-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]-1,3-thiazole-4-carboxamide
CID 93305116
2-(4-methoxyanilino)-N-(2-methoxyethyl)-N-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 46136295
5-methyl-N-[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]propan-2-yl]-1,2-oxazole-3-carboxamide
CID 97478228
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
(2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 92676854
2-(2-methoxyanilino)-N-methyl-N-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-4-carboxamide
CID 93306448

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-methoxyanilino)-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,3-thiazole-4-carboxamide (CID 42813675) is 2-(3-methoxyanilino)-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-methoxyanilino)-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-methoxyanilino)-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,3-thiazole-4-carboxamide is COc1cccc(Nc2nc(C(=O)NC(C)C(=O)NCC3CCCO3)cs2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZXTHRGBVOUCOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-12(17(24)20-10-15-7-4-8-27-15)21-18(25)16-11-28-19(23-16)22-13-5-3-6-14(9-13)26-2/h3,5-6,9,11-12,15H,4,7-8,10H2,1-2H3,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of 2-(3-methoxyanilino)-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,3-thiazole-4-carboxamide?
2-(3-methoxyanilino)-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42813675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).