N-[(Z)-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide

C19H20ClN5OS — CID 9029891

IUPACN-[(Z)-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(C)c(-n2nc(C)c(/C=N\NC(=O)Cc3nc(C)cs3)c2Cl)c1
InChIInChI=1S/C19H20ClN5OS/c1-11-5-6-12(2)16(7-11)25-19(20)15(14(4)24-25)9-21-23-17(26)8-18-22-13(3)10-27-18/h5-7,9-10H,8H2,1-4H3,(H,23,26)/b21-9-
InChIKeyQWHGZBVWQYAPTR-NKVSQWTQSA-N
MW401.92 g/mol
LogP3.91
Rot. Bonds5

About N-[(Z)-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide

N-[(Z)-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 9029891) has the molecular formula C19H20ClN5OS and a molecular weight of 401.92 g/mol. Its IUPAC name is N-[(Z)-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID9029891
Molecular FormulaC19H20ClN5OS
Molecular Weight401.92 g/mol
Exact Mass401.11
IUPAC NameN-[(Z)-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(C)c(-n2nc(C)c(/C=N\NC(=O)Cc3nc(C)cs3)c2Cl)c1
InChIInChI=1S/C19H20ClN5OS/c1-11-5-6-12(2)16(7-11)25-19(20)15(14(4)24-25)9-21-23-17(26)8-18-22-13(3)10-27-18/h5-7,9-10H,8H2,1-4H3,(H,23,26)/b21-9-
InChIKeyQWHGZBVWQYAPTR-NKVSQWTQSA-N
XLogP3.91
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[(Z)-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463792
2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824080
N-[[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 2127415
1-[(Z)-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylideneamino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9175692
N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029664
N-[(E)-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-phenylacetamide
CID 6893285
(Z)-1-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
CID 8901557
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(4-chlorophenyl)acetamide
CID 7334401
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5438565
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(3-methylanilino)acetamide
CID 5435233
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029239
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 5443754

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-[(Z)-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 9029891) is N-[(Z)-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-[(Z)-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1ccc(C)c(-n2nc(C)c(/C=N\NC(=O)Cc3nc(C)cs3)c2Cl)c1.
What is the InChIKey of N-[(Z)-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is QWHGZBVWQYAPTR-NKVSQWTQSA-N. The full InChI is InChI=1S/C19H20ClN5OS/c1-11-5-6-12(2)16(7-11)25-19(20)15(14(4)24-25)9-21-23-17(26)8-18-22-13(3)10-27-18/h5-7,9-10H,8H2,1-4H3,(H,23,26)/b21-9-.
What are the key properties of N-[(Z)-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
N-[(Z)-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 401.92 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 9029891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).