2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide

C10H11N3OS — CID 163590328

IUPAC2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESNc1ccccc1C(=O)NC1=NCCS1
InChIInChI=1S/C10H11N3OS/c11-8-4-2-1-3-7(8)9(14)13-10-12-5-6-15-10/h1-4H,5-6,11H2,(H,12,13,14)
InChIKeyGOZPQQIWGDQBQT-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.10
Rot. Bonds1

About 2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide

2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (PubChem CID 163590328) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
PubChem CID163590328
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESNc1ccccc1C(=O)NC1=NCCS1
InChIInChI=1S/C10H11N3OS/c11-8-4-2-1-3-7(8)9(14)13-10-12-5-6-15-10/h1-4H,5-6,11H2,(H,12,13,14)
InChIKeyGOZPQQIWGDQBQT-UHFFFAOYSA-N
XLogP1.10
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoic acid
CID 2859080
1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 4066059
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 51073257
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylfuran-3-carboxamide
CID 4063650
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide
CID 2117314
N-(4,5-dihydro-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 2110722
N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-2-fluorobenzamide
CID 833913
N-(5,6-dihydro-4H-1,3-thiazin-2-yl)benzamide
CID 102046322
(2S)-2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide
CID 99864673
N-(2-bromophenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108530774
6-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 4061427
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 71943116

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (CID 163590328) is 2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is Nc1ccccc1C(=O)NC1=NCCS1.
What is the InChIKey of 2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The InChIKey is GOZPQQIWGDQBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c11-8-4-2-1-3-7(8)9(14)13-10-12-5-6-15-10/h1-4H,5-6,11H2,(H,12,13,14).
What are the key properties of 2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide has a molecular weight of 221.29 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 163590328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).