3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide

C12H13N3OS — CID 54868850

IUPAC3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
SMILESCc1ncc(CNc2cccc(C(N)=O)c2)s1
InChIInChI=1S/C12H13N3OS/c1-8-14-6-11(17-8)7-15-10-4-2-3-9(5-10)12(13)16/h2-6,15H,7H2,1H3,(H2,13,16)
InChIKeyOBHUWBOAGBBTQX-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.16
Rot. Bonds4

About 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide

3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide (PubChem CID 54868850) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
PubChem CID54868850
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
SMILESCc1ncc(CNc2cccc(C(N)=O)c2)s1
InChIInChI=1S/C12H13N3OS/c1-8-14-6-11(17-8)7-15-10-4-2-3-9(5-10)12(13)16/h2-6,15H,7H2,1H3,(H2,13,16)
InChIKeyOBHUWBOAGBBTQX-UHFFFAOYSA-N
XLogP2.16
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941535
2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole
CID 54868489
1-(3-acetylphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 61481423
3-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941546
4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 60941885
3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168580143
5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide
CID 79605970
N-[(2-methyl-1,3-thiazol-5-yl)methyl]naphthalen-2-amine
CID 60942096
methyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxylate
CID 66285848
3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]benzamide
CID 102830891
3-[(2,4,6-trimethylphenyl)methylamino]benzamide
CID 28650483
3-[(2,4,5-trimethylphenyl)methylamino]benzamide
CID 43767609

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide (CID 54868850) is 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide is Cc1ncc(CNc2cccc(C(N)=O)c2)s1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide?
The InChIKey is OBHUWBOAGBBTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8-14-6-11(17-8)7-15-10-4-2-3-9(5-10)12(13)16/h2-6,15H,7H2,1H3,(H2,13,16).
What are the key properties of 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide?
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide has a molecular weight of 247.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide is sourced from PubChem (CID 54868850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).