2-amino-N-[1-(4-chlorophenyl)ethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide

C13H13ClN4OS — CID 3145256

IUPAC2-amino-N-[1-(4-chlorophenyl)ethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=NNC(=O)c1sc(N)nc1C)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN4OS/c1-7(9-3-5-10(14)6-4-9)17-18-12(19)11-8(2)16-13(15)20-11/h3-6H,1-2H3,(H2,15,16)(H,18,19)
InChIKeyOTEFPCZAWLNTHJ-UHFFFAOYSA-N
MW308.79 g/mol
LogP2.84
Rot. Bonds3

About 2-amino-N-[1-(4-chlorophenyl)ethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-[1-(4-chlorophenyl)ethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 3145256) has the molecular formula C13H13ClN4OS and a molecular weight of 308.79 g/mol. Its IUPAC name is 2-amino-N-[1-(4-chlorophenyl)ethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-chlorophenyl)ethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID3145256
Molecular FormulaC13H13ClN4OS
Molecular Weight308.79 g/mol
Exact Mass308.05
IUPAC Name2-amino-N-[1-(4-chlorophenyl)ethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=NNC(=O)c1sc(N)nc1C)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN4OS/c1-7(9-3-5-10(14)6-4-9)17-18-12(19)11-8(2)16-13(15)20-11/h3-6H,1-2H3,(H2,15,16)(H,18,19)
InChIKeyOTEFPCZAWLNTHJ-UHFFFAOYSA-N
XLogP2.84
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1,3-thiazole-5-carboxamide
CID 20997820
2-amino-4-methyl-N-[1-(4-piperidin-1-ylphenyl)ethylideneamino]-1,3-thiazole-5-carboxamide
CID 71899022
2-amino-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793569
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
5-amino-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-3-methyl-1,2-oxazole-4-carboxamide
CID 10108415
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 81354288
2-amino-N-[2-(4-chlorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55116242
N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 4161102
2-amino-N-(1-benzo[e][1]benzofuran-2-ylethylideneamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 71899021
2-amino-N-[(E)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 97002774
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 6253210

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-chlorophenyl)ethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[1-(4-chlorophenyl)ethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide (CID 3145256) is 2-amino-N-[1-(4-chlorophenyl)ethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(4-chlorophenyl)ethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[1-(4-chlorophenyl)ethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide is CC(=NNC(=O)c1sc(N)nc1C)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-N-[1-(4-chlorophenyl)ethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is OTEFPCZAWLNTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4OS/c1-7(9-3-5-10(14)6-4-9)17-18-12(19)11-8(2)16-13(15)20-11/h3-6H,1-2H3,(H2,15,16)(H,18,19).
What are the key properties of 2-amino-N-[1-(4-chlorophenyl)ethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-[1-(4-chlorophenyl)ethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 308.79 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-chlorophenyl)ethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3145256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).