N-[(Z)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C14H15N5OS — CID 9464092

IUPACN-[(Z)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N/N=C\c2cc(C#N)n(C)c2C)cs1
InChIInChI=1S/C14H15N5OS/c1-9-11(4-13(6-15)19(9)3)7-16-18-14(20)5-12-8-21-10(2)17-12/h4,7-8H,5H2,1-3H3,(H,18,20)/b16-7-
InChIKeyRTYPODHKQLDOHN-APSNUPSMSA-N
MW301.38 g/mol
LogP1.66
Rot. Bonds4

About N-[(Z)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[(Z)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 9464092) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is N-[(Z)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID9464092
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC NameN-[(Z)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N/N=C\c2cc(C#N)n(C)c2C)cs1
InChIInChI=1S/C14H15N5OS/c1-9-11(4-13(6-15)19(9)3)7-16-18-14(20)5-12-8-21-10(2)17-12/h4,7-8H,5H2,1-3H3,(H,18,20)/b16-7-
InChIKeyRTYPODHKQLDOHN-APSNUPSMSA-N
XLogP1.66
TPSA83.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.66
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-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]-2-thiophen-2-ylacetamide
CID 2120713
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-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4531211
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463662
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463664
N-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463667
N-[(4-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4007901
N-[(3,5-dimethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4843582
1-[(Z)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]-3-methylthiourea
CID 9072034
2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 6069223
N-[(2,6-dichlorophenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 5106080
N-[(E)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 6905938

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(Z)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 9464092) is N-[(Z)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(Z)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(Z)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)N/N=C\c2cc(C#N)n(C)c2C)cs1.
What is the InChIKey of N-[(Z)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is RTYPODHKQLDOHN-APSNUPSMSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-9-11(4-13(6-15)19(9)3)7-16-18-14(20)5-12-8-21-10(2)17-12/h4,7-8H,5H2,1-3H3,(H,18,20)/b16-7-.
What are the key properties of N-[(Z)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[(Z)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 301.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 9464092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).