2-amino-5-(1,3-thiazol-4-ylmethylamino)benzamide

C11H12N4OS — CID 63825784

IUPAC2-amino-5-(1,3-thiazol-4-ylmethylamino)benzamide
SMILESNC(=O)c1cc(NCc2cscn2)ccc1N
InChIInChI=1S/C11H12N4OS/c12-10-2-1-7(3-9(10)11(13)16)14-4-8-5-17-6-15-8/h1-3,5-6,14H,4,12H2,(H2,13,16)
InChIKeyVEVSPTILMLXSDD-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.44
Rot. Bonds4

About 2-amino-5-(1,3-thiazol-4-ylmethylamino)benzamide

2-amino-5-(1,3-thiazol-4-ylmethylamino)benzamide (PubChem CID 63825784) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-amino-5-(1,3-thiazol-4-ylmethylamino)benzamide.

Molecular Properties

Compound Name2-amino-5-(1,3-thiazol-4-ylmethylamino)benzamide
PubChem CID63825784
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name2-amino-5-(1,3-thiazol-4-ylmethylamino)benzamide
SMILESNC(=O)c1cc(NCc2cscn2)ccc1N
InChIInChI=1S/C11H12N4OS/c12-10-2-1-7(3-9(10)11(13)16)14-4-8-5-17-6-15-8/h1-3,5-6,14H,4,12H2,(H2,13,16)
InChIKeyVEVSPTILMLXSDD-UHFFFAOYSA-N
XLogP1.44
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-fluoro-5-(1,3-thiazol-4-ylmethylamino)benzamide
CID 63825433
3-amino-4-(1,3-thiazol-4-ylmethylamino)benzamide
CID 63829683
methyl 2-fluoro-5-(1,3-thiazol-4-ylmethylamino)benzoate
CID 61170429
2-amino-5-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 62989638
5-amino-2-fluoro-4-(1,3-thiazol-4-ylmethylamino)benzoic acid
CID 113394261
3,4-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60687488
4-chloro-2-N-(1,3-thiazol-4-ylmethyl)benzene-1,2-diamine
CID 115468994
5-bromo-2-(1,3-thiazol-4-ylmethylamino)benzoic acid
CID 114895801
ethyl N-[4-(1,3-thiazol-4-ylmethylamino)phenyl]carbamate
CID 61169060
N-[4-methyl-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide
CID 61171799
methyl 3-(1,3-thiazol-4-ylmethylamino)benzoate
CID 60690780
3-bromo-4-nitro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 82864131

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1,3-thiazol-4-ylmethylamino)benzamide?
The IUPAC name of 2-amino-5-(1,3-thiazol-4-ylmethylamino)benzamide (CID 63825784) is 2-amino-5-(1,3-thiazol-4-ylmethylamino)benzamide.
What is the SMILES notation for 2-amino-5-(1,3-thiazol-4-ylmethylamino)benzamide?
The canonical SMILES for 2-amino-5-(1,3-thiazol-4-ylmethylamino)benzamide is NC(=O)c1cc(NCc2cscn2)ccc1N.
What is the InChIKey of 2-amino-5-(1,3-thiazol-4-ylmethylamino)benzamide?
The InChIKey is VEVSPTILMLXSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c12-10-2-1-7(3-9(10)11(13)16)14-4-8-5-17-6-15-8/h1-3,5-6,14H,4,12H2,(H2,13,16).
What are the key properties of 2-amino-5-(1,3-thiazol-4-ylmethylamino)benzamide?
2-amino-5-(1,3-thiazol-4-ylmethylamino)benzamide has a molecular weight of 248.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1,3-thiazol-4-ylmethylamino)benzamide is sourced from PubChem (CID 63825784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).