N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide

C19H24N6OS — CID 9030285

IUPACN-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(CC(=O)N/N=C\c2cc(C)n(-c3ccnn3C(C)C)c2C)n1
InChIInChI=1S/C19H24N6OS/c1-12(2)25-19(6-7-21-25)24-14(4)8-16(15(24)5)10-20-23-17(26)9-18-22-13(3)11-27-18/h6-8,10-12H,9H2,1-5H3,(H,23,26)/b20-10-
InChIKeyJXMOETOJGDAXJT-JMIUGGIZSA-N
MW384.51 g/mol
LogP3.33
Rot. Bonds6

About N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide

N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 9030285) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID9030285
Molecular FormulaC19H24N6OS
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC NameN-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(CC(=O)N/N=C\c2cc(C)n(-c3ccnn3C(C)C)c2C)n1
InChIInChI=1S/C19H24N6OS/c1-12(2)25-19(6-7-21-25)24-14(4)8-16(15(24)5)10-20-23-17(26)9-18-22-13(3)11-27-18/h6-8,10-12H,9H2,1-5H3,(H,23,26)/b20-10-
InChIKeyJXMOETOJGDAXJT-JMIUGGIZSA-N
XLogP3.33
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-cyclopropyl-N'-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]oxamide
CID 9352763
N-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9231809
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029239
(E)-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]-N-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 24655017
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]-N-methylprop-2-enamide
CID 39966500
N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029664
[(2R)-1-oxo-1-(propylamino)propan-2-yl] (E)-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]prop-2-enoate
CID 8994488
(E)-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)prop-2-enamide
CID 24652561
[2-methoxy-4-[(Z)-[[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 9029686
(E)-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]-1-(3-hydroxyphenyl)prop-2-en-1-one
CID 9211327
2-(4-cyanophenoxy)-N-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]acetamide
CID 9217756
N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029531

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 9030285) is N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(CC(=O)N/N=C\c2cc(C)n(-c3ccnn3C(C)C)c2C)n1.
What is the InChIKey of N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is JXMOETOJGDAXJT-JMIUGGIZSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-12(2)25-19(6-7-21-25)24-14(4)8-16(15(24)5)10-20-23-17(26)9-18-22-13(3)11-27-18/h6-8,10-12H,9H2,1-5H3,(H,23,26)/b20-10-.
What are the key properties of N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 384.51 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 9030285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).