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

C18H17N3O2S — CID 39071437

IUPAC2-amino-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc(N)nc2-c2ccccc2)cc1
InChIInChI=1S/C18H17N3O2S/c1-23-14-9-7-12(8-10-14)11-20-17(22)16-15(21-18(19)24-16)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,19,21)(H,20,22)
InChIKeyQKLZXHHUIJUZEJ-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.33
Rot. Bonds5

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

2-amino-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 39071437) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-amino-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID39071437
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-amino-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc(N)nc2-c2ccccc2)cc1
InChIInChI=1S/C18H17N3O2S/c1-23-14-9-7-12(8-10-14)11-20-17(22)16-15(21-18(19)24-16)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,19,21)(H,20,22)
InChIKeyQKLZXHHUIJUZEJ-UHFFFAOYSA-N
XLogP3.33
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(2-methoxyethyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071451
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115695
2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071376
2,4-diphenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 24503927
2-(4-bromoanilino)-N-[(3,5-dimethoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 24821892
N-[(4-methoxyphenyl)methyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 19164089
3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830081
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide
CID 28856761
3-amino-5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 66744013
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748562
N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117084347

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide (CID 39071437) is 2-amino-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide is COc1ccc(CNC(=O)c2sc(N)nc2-c2ccccc2)cc1.
What is the InChIKey of 2-amino-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is QKLZXHHUIJUZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-23-14-9-7-12(8-10-14)11-20-17(22)16-15(21-18(19)24-16)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of 2-amino-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide?
2-amino-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39071437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).