3-[(1,3-thiazol-5-ylmethylamino)methyl]benzamide

C12H13N3OS — CID 55109901

IUPAC3-[(1,3-thiazol-5-ylmethylamino)methyl]benzamide
SMILESNC(=O)c1cccc(CNCc2cncs2)c1
InChIInChI=1S/C12H13N3OS/c13-12(16)10-3-1-2-9(4-10)5-14-6-11-7-15-8-17-11/h1-4,7-8,14H,5-6H2,(H2,13,16)
InChIKeyZYWZQIOYBWNLTL-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.53
Rot. Bonds5

About 3-[(1,3-thiazol-5-ylmethylamino)methyl]benzamide

3-[(1,3-thiazol-5-ylmethylamino)methyl]benzamide (PubChem CID 55109901) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-[(1,3-thiazol-5-ylmethylamino)methyl]benzamide.

Molecular Properties

Compound Name3-[(1,3-thiazol-5-ylmethylamino)methyl]benzamide
PubChem CID55109901
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name3-[(1,3-thiazol-5-ylmethylamino)methyl]benzamide
SMILESNC(=O)c1cccc(CNCc2cncs2)c1
InChIInChI=1S/C12H13N3OS/c13-12(16)10-3-1-2-9(4-10)5-14-6-11-7-15-8-17-11/h1-4,7-8,14H,5-6H2,(H2,13,16)
InChIKeyZYWZQIOYBWNLTL-UHFFFAOYSA-N
XLogP1.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43664759
3-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]benzamide
CID 115591998
3-[[(2-ethylphenyl)methylamino]methyl]benzamide
CID 62391737
3-[(3-carbamoylphenyl)methylamino]propanoic acid
CID 43466251
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-[[(4-cyanophenyl)methylamino]methyl]benzamide
CID 43664709
3-[[2-(1H-imidazol-5-yl)ethylamino]methyl]benzamide
CID 65232486
3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide
CID 114153512
3-[(4,4,4-trifluorobutylamino)methyl]benzamide
CID 79039829
3-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzamide
CID 55138482
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62758662
1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62759037

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-thiazol-5-ylmethylamino)methyl]benzamide?
The IUPAC name of 3-[(1,3-thiazol-5-ylmethylamino)methyl]benzamide (CID 55109901) is 3-[(1,3-thiazol-5-ylmethylamino)methyl]benzamide.
What is the SMILES notation for 3-[(1,3-thiazol-5-ylmethylamino)methyl]benzamide?
The canonical SMILES for 3-[(1,3-thiazol-5-ylmethylamino)methyl]benzamide is NC(=O)c1cccc(CNCc2cncs2)c1.
What is the InChIKey of 3-[(1,3-thiazol-5-ylmethylamino)methyl]benzamide?
The InChIKey is ZYWZQIOYBWNLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c13-12(16)10-3-1-2-9(4-10)5-14-6-11-7-15-8-17-11/h1-4,7-8,14H,5-6H2,(H2,13,16).
What are the key properties of 3-[(1,3-thiazol-5-ylmethylamino)methyl]benzamide?
3-[(1,3-thiazol-5-ylmethylamino)methyl]benzamide has a molecular weight of 247.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-thiazol-5-ylmethylamino)methyl]benzamide is sourced from PubChem (CID 55109901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).