4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide

C13H15N3OS — CID 63843592

IUPAC4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncsc1CN(C)C(=O)c1ccc(N)cc1
InChIInChI=1S/C13H15N3OS/c1-9-12(18-8-15-9)7-16(2)13(17)10-3-5-11(14)6-4-10/h3-6,8H,7,14H2,1-2H3
InChIKeyBQZWHBXPEVBALA-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.31
Rot. Bonds3

About 4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide

4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 63843592) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID63843592
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncsc1CN(C)C(=O)c1ccc(N)cc1
InChIInChI=1S/C13H15N3OS/c1-9-12(18-8-15-9)7-16(2)13(17)10-3-5-11(14)6-4-10/h3-6,8H,7,14H2,1-2H3
InChIKeyBQZWHBXPEVBALA-UHFFFAOYSA-N
XLogP2.31
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-carbamothioyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63821276
4-amino-3,5-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 82832587
2-(4-aminophenyl)-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 80555225
3,5-dihydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 104939000
5-amino-2-methoxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63843759
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide
CID 104742351
4-chloro-3-methoxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 99780348
4-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]aniline
CID 63843467
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685501
4-[3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propyl]aniline
CID 115342144
4-amino-N,N-dimethyl-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]benzamide
CID 63841906

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide (CID 63843592) is 4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide is Cc1ncsc1CN(C)C(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is BQZWHBXPEVBALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-12(18-8-15-9)7-16(2)13(17)10-3-5-11(14)6-4-10/h3-6,8H,7,14H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide has a molecular weight of 261.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 63843592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).