2-(2-methoxyanilino)-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-5-carboxamide

C17H17N3O2S2 — CID 11989670

IUPAC2-(2-methoxyanilino)-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1Nc1nc(C)c(C(=O)NCc2ccsc2)s1
InChIInChI=1S/C17H17N3O2S2/c1-11-15(16(21)18-9-12-7-8-23-10-12)24-17(19-11)20-13-5-3-4-6-14(13)22-2/h3-8,10H,9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyMEQSGLBPWMRJRD-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.20
Rot. Bonds6

About 2-(2-methoxyanilino)-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-5-carboxamide

2-(2-methoxyanilino)-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 11989670) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID11989670
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name2-(2-methoxyanilino)-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1Nc1nc(C)c(C(=O)NCc2ccsc2)s1
InChIInChI=1S/C17H17N3O2S2/c1-11-15(16(21)18-9-12-7-8-23-10-12)24-17(19-11)20-13-5-3-4-6-14(13)22-2/h3-8,10H,9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyMEQSGLBPWMRJRD-UHFFFAOYSA-N
XLogP4.20
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-bromophenyl)methyl]-2-(2-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 11989668
2-(2-methoxyanilino)-4-methyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 59729242
2-(2-methoxyanilino)-4-methyl-N-[(1S)-1-phenylpropyl]-1,3-thiazole-5-carboxamide
CID 11989886
2-(2-ethylanilino)-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53365440
2-(benzylamino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152845
2-(2-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylic acid;N-[(2-methylphenyl)methyl]thiohydroxylamine
CID 87748302
N-[(2,6-difluorophenyl)methyl]-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897958
N-[(4-bromophenyl)methyl]-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365458
2-(2-ethylanilino)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53365490
2-(2-ethylanilino)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365483
N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 26734258
N-[(2-methoxyphenyl)methyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39084292

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-methoxyanilino)-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 11989670) is 2-(2-methoxyanilino)-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-methoxyanilino)-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-methoxyanilino)-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-5-carboxamide is COc1ccccc1Nc1nc(C)c(C(=O)NCc2ccsc2)s1.
What is the InChIKey of 2-(2-methoxyanilino)-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is MEQSGLBPWMRJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-11-15(16(21)18-9-12-7-8-23-10-12)24-17(19-11)20-13-5-3-4-6-14(13)22-2/h3-8,10H,9H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 2-(2-methoxyanilino)-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-5-carboxamide?
2-(2-methoxyanilino)-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 359.48 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11989670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).