3-amino-4-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide

C12H13N3O2S — CID 63830367

IUPAC3-amino-4-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2cscn2)cc1N
InChIInChI=1S/C12H13N3O2S/c1-17-11-3-2-8(4-10(11)13)12(16)14-5-9-6-18-7-15-9/h2-4,6-7H,5,13H2,1H3,(H,14,16)
InChIKeyNKJVNTVLPDKFKS-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.66
Rot. Bonds4

About 3-amino-4-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide

3-amino-4-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide (PubChem CID 63830367) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
PubChem CID63830367
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name3-amino-4-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2cscn2)cc1N
InChIInChI=1S/C12H13N3O2S/c1-17-11-3-2-8(4-10(11)13)12(16)14-5-9-6-18-7-15-9/h2-4,6-7H,5,13H2,1H3,(H,14,16)
InChIKeyNKJVNTVLPDKFKS-UHFFFAOYSA-N
XLogP1.66
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63830021
2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346216
N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78855067
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methoxybenzamide
CID 65241851
4-bromo-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 115770341
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
3-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61139806
3-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide
CID 61140170
2-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49346575
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
CID 107210223
3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide
CID 61401758
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 39641892

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide?
The IUPAC name of 3-amino-4-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide (CID 63830367) is 3-amino-4-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-4-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide?
The canonical SMILES for 3-amino-4-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide is COc1ccc(C(=O)NCc2cscn2)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide?
The InChIKey is NKJVNTVLPDKFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-17-11-3-2-8(4-10(11)13)12(16)14-5-9-6-18-7-15-9/h2-4,6-7H,5,13H2,1H3,(H,14,16).
What are the key properties of 3-amino-4-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide?
3-amino-4-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide has a molecular weight of 263.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide is sourced from PubChem (CID 63830367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).