N'-[4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide

C19H22N4OS — CID 40645621

IUPACN'-[4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide
SMILESCOc1ccc(-n2c(C)cc(-c3csc(N=CN(C)C)n3)c2C)cc1
InChIInChI=1S/C19H22N4OS/c1-13-10-17(18-11-25-19(21-18)20-12-22(3)4)14(2)23(13)15-6-8-16(24-5)9-7-15/h6-12H,1-5H3
InChIKeyRVUHAPGKYJAVSP-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.45
Rot. Bonds5

About N'-[4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide

N'-[4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide (PubChem CID 40645621) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is N'-[4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide
PubChem CID40645621
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC NameN'-[4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide
SMILESCOc1ccc(-n2c(C)cc(-c3csc(N=CN(C)C)n3)c2C)cc1
InChIInChI=1S/C19H22N4OS/c1-13-10-17(18-11-25-19(21-18)20-12-22(3)4)14(2)23(13)15-6-8-16(24-5)9-7-15/h6-12H,1-5H3
InChIKeyRVUHAPGKYJAVSP-UHFFFAOYSA-N
XLogP4.45
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide (CID 40645621) is N'-[4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide is COc1ccc(-n2c(C)cc(-c3csc(N=CN(C)C)n3)c2C)cc1.
What is the InChIKey of N'-[4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide?
The InChIKey is RVUHAPGKYJAVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-13-10-17(18-11-25-19(21-18)20-12-22(3)4)14(2)23(13)15-6-8-16(24-5)9-7-15/h6-12H,1-5H3.
What are the key properties of N'-[4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide?
N'-[4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide has a molecular weight of 354.48 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 40645621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).