2-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide

C16H15N3O2S2 — CID 86825779

IUPAC2-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NCc3cnc(C)s3)cs2)cc1
InChIInChI=1S/C16H15N3O2S2/c1-10-17-7-13(23-10)8-18-15(20)14-9-22-16(19-14)11-3-5-12(21-2)6-4-11/h3-7,9H,8H2,1-2H3,(H,18,20)
InChIKeyLAMBMPQRZQZZSW-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.51
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide

2-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 86825779) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID86825779
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name2-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NCc3cnc(C)s3)cs2)cc1
InChIInChI=1S/C16H15N3O2S2/c1-10-17-7-13(23-10)8-18-15(20)14-9-22-16(19-14)11-3-5-12(21-2)6-4-11/h3-7,9H,8H2,1-2H3,(H,18,20)
InChIKeyLAMBMPQRZQZZSW-UHFFFAOYSA-N
XLogP3.51
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 134049696
2-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 115413011
N-(3-aminobutyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119495584
N-(2-amino-2-ethylbutyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119640344
2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 6933840
N-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 120650279
N-(3-amino-2-methylpropyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119998203
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 55744365
N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 75395541
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide (CID 86825779) is 2-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)NCc3cnc(C)s3)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LAMBMPQRZQZZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-10-17-7-13(23-10)8-18-15(20)14-9-22-16(19-14)11-3-5-12(21-2)6-4-11/h3-7,9H,8H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide?
2-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86825779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).