2-amino-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-3-ium-5-carboxamide

C17H16N3O2S+ — CID 3303644

IUPAC2-amino-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-3-ium-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(N)[nH+]c2-c2ccccc2)cc1
InChIInChI=1S/C17H15N3O2S/c1-22-13-9-7-12(8-10-13)19-16(21)15-14(20-17(18)23-15)11-5-3-2-4-6-11/h2-10H,1H3,(H2,18,20)(H,19,21)/p+1
InChIKeyUYQYKFCAEVZZCW-UHFFFAOYSA-O
MW326.40 g/mol
LogP3.07
Rot. Bonds4

About 2-amino-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-3-ium-5-carboxamide

2-amino-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-3-ium-5-carboxamide (PubChem CID 3303644) has the molecular formula C17H16N3O2S+ and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-amino-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-3-ium-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-3-ium-5-carboxamide
PubChem CID3303644
Molecular FormulaC17H16N3O2S+
Molecular Weight326.40 g/mol
Exact Mass326.10
IUPAC Name2-amino-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-3-ium-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(N)[nH+]c2-c2ccccc2)cc1
InChIInChI=1S/C17H15N3O2S/c1-22-13-9-7-12(8-10-13)19-16(21)15-14(20-17(18)23-15)11-5-3-2-4-6-11/h2-10H,1H3,(H2,18,20)(H,19,21)/p+1
InChIKeyUYQYKFCAEVZZCW-UHFFFAOYSA-O
XLogP3.07
TPSA78.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-methoxyphenyl)-4-methyl-5-phenylthiophene-3-carboxamide
CID 722851
3-hydroxy-5-(4-methoxyphenyl)-N-phenylthiophene-2-carboxamide
CID 155806102
N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 724615
3-hydroxy-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 86129650
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
3-benzyl-N-(4-methoxyphenyl)-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
CID 129316336
ethyl 2-benzamido-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 2167737
N-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165281
2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071376
benzhydryl 4-[(4-methoxybenzoyl)amino]benzoate
CID 126182220
N-(4-methoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 110683719
5-amino-N-(3-methoxyphenyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 35177368

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-3-ium-5-carboxamide?
The IUPAC name of 2-amino-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-3-ium-5-carboxamide (CID 3303644) is 2-amino-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-3-ium-5-carboxamide.
What is the SMILES notation for 2-amino-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-3-ium-5-carboxamide?
The canonical SMILES for 2-amino-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-3-ium-5-carboxamide is COc1ccc(NC(=O)c2sc(N)[nH+]c2-c2ccccc2)cc1.
What is the InChIKey of 2-amino-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-3-ium-5-carboxamide?
The InChIKey is UYQYKFCAEVZZCW-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H15N3O2S/c1-22-13-9-7-12(8-10-13)19-16(21)15-14(20-17(18)23-15)11-5-3-2-4-6-11/h2-10H,1H3,(H2,18,20)(H,19,21)/p+1.
What are the key properties of 2-amino-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-3-ium-5-carboxamide?
2-amino-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-3-ium-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-3-ium-5-carboxamide is sourced from PubChem (CID 3303644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).