2-methyl-3-(1,3-thiazol-2-ylmethylamino)benzamide

C12H13N3OS — CID 63656612

IUPAC2-methyl-3-(1,3-thiazol-2-ylmethylamino)benzamide
SMILESCc1c(NCc2nccs2)cccc1C(N)=O
InChIInChI=1S/C12H13N3OS/c1-8-9(12(13)16)3-2-4-10(8)15-7-11-14-5-6-17-11/h2-6,15H,7H2,1H3,(H2,13,16)
InChIKeyAETOUQOYWIILHS-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.16
Rot. Bonds4

About 2-methyl-3-(1,3-thiazol-2-ylmethylamino)benzamide

2-methyl-3-(1,3-thiazol-2-ylmethylamino)benzamide (PubChem CID 63656612) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-methyl-3-(1,3-thiazol-2-ylmethylamino)benzamide.

Molecular Properties

Compound Name2-methyl-3-(1,3-thiazol-2-ylmethylamino)benzamide
PubChem CID63656612
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name2-methyl-3-(1,3-thiazol-2-ylmethylamino)benzamide
SMILESCc1c(NCc2nccs2)cccc1C(N)=O
InChIInChI=1S/C12H13N3OS/c1-8-9(12(13)16)3-2-4-10(8)15-7-11-14-5-6-17-11/h2-6,15H,7H2,1H3,(H2,13,16)
InChIKeyAETOUQOYWIILHS-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

2-methyl-3-N-(1,3-thiazol-2-ylmethyl)benzene-1,3-diamine
CID 63078164
ethyl 2-amino-3-(1,3-thiazol-2-ylmethylamino)benzoate
CID 113332759
3-[(3-aminothiophen-2-yl)methylamino]-2-methylbenzamide
CID 66385546
3-[(3-bromothiophen-2-yl)methylamino]-2-methylbenzamide
CID 115379961
2-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 62231705
2-methyl-3-(1,3-thiazol-5-ylmethylamino)benzamide
CID 62758134
3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbenzamide
CID 54883427
2-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzamide
CID 43694008
5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79614087
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-methylbenzamide
CID 115686050
3-amino-4-(1,3-thiazol-2-ylmethylamino)benzamide
CID 61284227
N,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115688065

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,3-thiazol-2-ylmethylamino)benzamide?
The IUPAC name of 2-methyl-3-(1,3-thiazol-2-ylmethylamino)benzamide (CID 63656612) is 2-methyl-3-(1,3-thiazol-2-ylmethylamino)benzamide.
What is the SMILES notation for 2-methyl-3-(1,3-thiazol-2-ylmethylamino)benzamide?
The canonical SMILES for 2-methyl-3-(1,3-thiazol-2-ylmethylamino)benzamide is Cc1c(NCc2nccs2)cccc1C(N)=O.
What is the InChIKey of 2-methyl-3-(1,3-thiazol-2-ylmethylamino)benzamide?
The InChIKey is AETOUQOYWIILHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8-9(12(13)16)3-2-4-10(8)15-7-11-14-5-6-17-11/h2-6,15H,7H2,1H3,(H2,13,16).
What are the key properties of 2-methyl-3-(1,3-thiazol-2-ylmethylamino)benzamide?
2-methyl-3-(1,3-thiazol-2-ylmethylamino)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 2-methyl-3-(1,3-thiazol-2-ylmethylamino)benzamide is sourced from PubChem (CID 63656612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).