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

C13H15N3OS — CID 55013339

IUPAC4-amino-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESCc1cc(C(=O)N(C)Cc2cscn2)ccc1N
InChIInChI=1S/C13H15N3OS/c1-9-5-10(3-4-12(9)14)13(17)16(2)6-11-7-18-8-15-11/h3-5,7-8H,6,14H2,1-2H3
InChIKeyUANVGTDICJTMFS-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.31
Rot. Bonds3

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

4-amino-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide (PubChem CID 55013339) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-amino-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-amino-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
PubChem CID55013339
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name4-amino-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESCc1cc(C(=O)N(C)Cc2cscn2)ccc1N
InChIInChI=1S/C13H15N3OS/c1-9-5-10(3-4-12(9)14)13(17)16(2)6-11-7-18-8-15-11/h3-5,7-8H,6,14H2,1-2H3
InChIKeyUANVGTDICJTMFS-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-fluoro-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55163854
2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 65349208
3-hydroxy-4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 113434706
3-amino-4,5-dichloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55013795
3-amino-5-bromo-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 107872599
2-amino-6-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
CID 62159832
3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63189346
3-amino-5-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 81089891
4-hydrazinyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
CID 62236807
4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide
CID 47402715
2-hydroxy-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 54990504
4-amino-N,3-dimethyl-N-pentylbenzamide
CID 43294398

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
The IUPAC name of 4-amino-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide (CID 55013339) is 4-amino-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide.
What is the SMILES notation for 4-amino-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
The canonical SMILES for 4-amino-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide is Cc1cc(C(=O)N(C)Cc2cscn2)ccc1N.
What is the InChIKey of 4-amino-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
The InChIKey is UANVGTDICJTMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-5-10(3-4-12(9)14)13(17)16(2)6-11-7-18-8-15-11/h3-5,7-8H,6,14H2,1-2H3.
What are the key properties of 4-amino-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
4-amino-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)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,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide is sourced from PubChem (CID 55013339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).