N'-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-phenylpyrrolidine-1-carboximidamide

C15H20N4S — CID 70592377

IUPACN'-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-phenylpyrrolidine-1-carboximidamide
SMILESc1ccc(N/C(=N/C2=NCCSC2)N2CCCC2)cc1
InChIInChI=1S/C15H20N4S/c1-2-6-13(7-3-1)17-15(19-9-4-5-10-19)18-14-12-20-11-8-16-14/h1-3,6-7H,4-5,8-12H2,(H,16,17,18)
InChIKeySIHVACSNNFJBON-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.70
Rot. Bonds1

About N'-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-phenylpyrrolidine-1-carboximidamide

N'-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-phenylpyrrolidine-1-carboximidamide (PubChem CID 70592377) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is N'-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-phenylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-phenylpyrrolidine-1-carboximidamide
PubChem CID70592377
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC NameN'-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-phenylpyrrolidine-1-carboximidamide
SMILESc1ccc(N/C(=N/C2=NCCSC2)N2CCCC2)cc1
InChIInChI=1S/C15H20N4S/c1-2-6-13(7-3-1)17-15(19-9-4-5-10-19)18-14-12-20-11-8-16-14/h1-3,6-7H,4-5,8-12H2,(H,16,17,18)
InChIKeySIHVACSNNFJBON-UHFFFAOYSA-N
XLogP2.70
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-phenylpyrrolidine-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

N'-(2,3,4,5,6,7-hexahydroazocin-8-yl)-N-phenylmorpholine-4-carboximidamide
CID 70452833
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-phenylmorpholine-4-carboximidamide;hydrochloride
CID 70538717
N'-(4-methylphenyl)-N-phenylpiperidine-1-carboximidamide
CID 138974908
N'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972
N'-cyclopropyl-N-phenylpiperidine-1-carboximidamide
CID 111024258
N'-[2-(dimethylamino)-2-methylpropyl]-N-phenylpiperidine-1-carboximidamide
CID 111028734
N-phenyl-N'-(1,3-thiazol-2-ylmethyl)piperidine-1-carboximidamide
CID 119119501
N,N'-diphenylmorpholine-4-carboximidamide;hydroiodide
CID 17383253
N'-[(1,1-dioxothian-4-yl)methyl]-N-phenylpiperidine-1-carboximidamide
CID 109468009
N-phenyl-N'-(pyridazin-3-ylmethyl)piperidine-1-carboximidamide
CID 120580522
N'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide
CID 111089079
N-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111024708

Frequently Asked Questions

What is the IUPAC name of N'-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-phenylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-phenylpyrrolidine-1-carboximidamide (CID 70592377) is N'-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-phenylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-phenylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-phenylpyrrolidine-1-carboximidamide is c1ccc(N/C(=N/C2=NCCSC2)N2CCCC2)cc1.
What is the InChIKey of N'-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-phenylpyrrolidine-1-carboximidamide?
The InChIKey is SIHVACSNNFJBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-2-6-13(7-3-1)17-15(19-9-4-5-10-19)18-14-12-20-11-8-16-14/h1-3,6-7H,4-5,8-12H2,(H,16,17,18).
What are the key properties of N'-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-phenylpyrrolidine-1-carboximidamide?
N'-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-phenylpyrrolidine-1-carboximidamide has a molecular weight of 288.42 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-phenylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 70592377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).