N-(3-methoxyphenyl)-N'-(1,3-thiazol-2-yl)pyrrolidine-1-carboximidamide

C15H18N4OS — CID 54519971

IUPACN-(3-methoxyphenyl)-N'-(1,3-thiazol-2-yl)pyrrolidine-1-carboximidamide
SMILESCOc1cccc(NC(=Nc2nccs2)N2CCCC2)c1
InChIInChI=1S/C15H18N4OS/c1-20-13-6-4-5-12(11-13)17-14(19-8-2-3-9-19)18-15-16-7-10-21-15/h4-7,10-11H,2-3,8-9H2,1H3,(H,16,17,18)
InChIKeyYPCGYKPVLCLBRX-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.35
Rot. Bonds3

About N-(3-methoxyphenyl)-N'-(1,3-thiazol-2-yl)pyrrolidine-1-carboximidamide

N-(3-methoxyphenyl)-N'-(1,3-thiazol-2-yl)pyrrolidine-1-carboximidamide (PubChem CID 54519971) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N'-(1,3-thiazol-2-yl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N'-(1,3-thiazol-2-yl)pyrrolidine-1-carboximidamide
PubChem CID54519971
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-(3-methoxyphenyl)-N'-(1,3-thiazol-2-yl)pyrrolidine-1-carboximidamide
SMILESCOc1cccc(NC(=Nc2nccs2)N2CCCC2)c1
InChIInChI=1S/C15H18N4OS/c1-20-13-6-4-5-12(11-13)17-14(19-8-2-3-9-19)18-15-16-7-10-21-15/h4-7,10-11H,2-3,8-9H2,1H3,(H,16,17,18)
InChIKeyYPCGYKPVLCLBRX-UHFFFAOYSA-N
XLogP3.35
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(3-methoxyphenyl)-N'-(1,3-thiazol-2-yl)pyrrolidine-1-carboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-methoxyanilino)-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide
CID 17386383
N-(3-methoxyphenyl)-2-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]acetamide
CID 163345188
2-[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]-1-pyrrolidin-1-ylethanone
CID 52906255
N-(3-methoxyphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203921
N-(3-methoxyphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972063
N-(3-methoxyphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102944
N-(3-methoxyphenyl)thiomorpholine-4-carbothioamide
CID 125475588
methyl (2R)-1-[(3-methoxyphenyl)carbamoyl]piperidine-2-carboxylate
CID 115536153
2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 51145616
azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109196797
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxyphenyl)acetamide
CID 18137878

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N'-(1,3-thiazol-2-yl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-(3-methoxyphenyl)-N'-(1,3-thiazol-2-yl)pyrrolidine-1-carboximidamide (CID 54519971) is N-(3-methoxyphenyl)-N'-(1,3-thiazol-2-yl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(3-methoxyphenyl)-N'-(1,3-thiazol-2-yl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-(3-methoxyphenyl)-N'-(1,3-thiazol-2-yl)pyrrolidine-1-carboximidamide is COc1cccc(NC(=Nc2nccs2)N2CCCC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N'-(1,3-thiazol-2-yl)pyrrolidine-1-carboximidamide?
The InChIKey is YPCGYKPVLCLBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-20-13-6-4-5-12(11-13)17-14(19-8-2-3-9-19)18-15-16-7-10-21-15/h4-7,10-11H,2-3,8-9H2,1H3,(H,16,17,18).
What are the key properties of N-(3-methoxyphenyl)-N'-(1,3-thiazol-2-yl)pyrrolidine-1-carboximidamide?
N-(3-methoxyphenyl)-N'-(1,3-thiazol-2-yl)pyrrolidine-1-carboximidamide has a molecular weight of 302.40 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N'-(1,3-thiazol-2-yl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 54519971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).