N-(4-amino-2-chlorophenyl)-N'-(1,3-thiazol-2-yl)oxamide

C11H9ClN4O2S — CID 108515980

IUPACN-(4-amino-2-chlorophenyl)-N'-(1,3-thiazol-2-yl)oxamide
SMILESNc1ccc(NC(=O)C(=O)Nc2nccs2)c(Cl)c1
InChIInChI=1S/C11H9ClN4O2S/c12-7-5-6(13)1-2-8(7)15-9(17)10(18)16-11-14-3-4-19-11/h1-5H,13H2,(H,15,17)(H,14,16,18)
InChIKeyYPTIPDLJGNATDK-UHFFFAOYSA-N
MW296.74 g/mol
LogP1.96
Rot. Bonds2

About N-(4-amino-2-chlorophenyl)-N'-(1,3-thiazol-2-yl)oxamide

N-(4-amino-2-chlorophenyl)-N'-(1,3-thiazol-2-yl)oxamide (PubChem CID 108515980) has the molecular formula C11H9ClN4O2S and a molecular weight of 296.74 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-N'-(1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-N'-(1,3-thiazol-2-yl)oxamide
PubChem CID108515980
Molecular FormulaC11H9ClN4O2S
Molecular Weight296.74 g/mol
Exact Mass296.01
IUPAC NameN-(4-amino-2-chlorophenyl)-N'-(1,3-thiazol-2-yl)oxamide
SMILESNc1ccc(NC(=O)C(=O)Nc2nccs2)c(Cl)c1
InChIInChI=1S/C11H9ClN4O2S/c12-7-5-6(13)1-2-8(7)15-9(17)10(18)16-11-14-3-4-19-11/h1-5H,13H2,(H,15,17)(H,14,16,18)
InChIKeyYPTIPDLJGNATDK-UHFFFAOYSA-N
XLogP1.96
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 108516076
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2-(6-aminoquinolin-2-yl)-N-(1,3-thiazol-2-yl)acetamide
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N-(4-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide
CID 79985766
6-amino-N-(1,3-thiazol-2-yl)-1H-indole-3-carboxamide
CID 61089769
4-amino-3-chloro-5-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 86046988
1,3-thiazol-2-ylurea;hydrochloride
CID 118455578
N'-(4-amino-2-chlorophenyl)-N-(2-hydroxypropyl)oxamide
CID 108516000
N'-(4-amino-2-chlorophenyl)-N-(4-cyanophenyl)oxamide
CID 108515972
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
2-(4-amino-2-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 43302977
4-amino-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 86046967

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-N'-(1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-N'-(1,3-thiazol-2-yl)oxamide (CID 108515980) is N-(4-amino-2-chlorophenyl)-N'-(1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-N'-(1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-N'-(1,3-thiazol-2-yl)oxamide is Nc1ccc(NC(=O)C(=O)Nc2nccs2)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-N'-(1,3-thiazol-2-yl)oxamide?
The InChIKey is YPTIPDLJGNATDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2S/c12-7-5-6(13)1-2-8(7)15-9(17)10(18)16-11-14-3-4-19-11/h1-5H,13H2,(H,15,17)(H,14,16,18).
What are the key properties of N-(4-amino-2-chlorophenyl)-N'-(1,3-thiazol-2-yl)oxamide?
N-(4-amino-2-chlorophenyl)-N'-(1,3-thiazol-2-yl)oxamide has a molecular weight of 296.74 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-N'-(1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 108515980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).