N-[(2-aminophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide

C15H18N4OS — CID 3357908

IUPACN-[(2-aminophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
SMILESNc1ccccc1CNC(=O)c1csc(C2CCCN2)n1
InChIInChI=1S/C15H18N4OS/c16-11-5-2-1-4-10(11)8-18-14(20)13-9-21-15(19-13)12-6-3-7-17-12/h1-2,4-5,9,12,17H,3,6-8,16H2,(H,18,20)
InChIKeyDPZOPSXUZIUQNC-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.08
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide

N-[(2-aminophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 3357908) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID3357908
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-[(2-aminophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
SMILESNc1ccccc1CNC(=O)c1csc(C2CCCN2)n1
InChIInChI=1S/C15H18N4OS/c16-11-5-2-1-4-10(11)8-18-14(20)13-9-21-15(19-13)12-6-3-7-17-12/h1-2,4-5,9,12,17H,3,6-8,16H2,(H,18,20)
InChIKeyDPZOPSXUZIUQNC-UHFFFAOYSA-N
XLogP2.08
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
CID 3700307
2-pyrrolidin-2-yl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 4254038
N-[2-(3-chlorophenyl)ethyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
CID 3803357
N-cyclooctyl-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
CID 3698377
ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 40611193
N-[(2,5-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-thiazole-4-carboxamide
CID 3846497
(3-hydroxyphenyl)-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone
CID 138695861
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3854076
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 125004401
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 110902537
N-[2-(2-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3791349
2-methyl-N-[(2-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110476240

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide (CID 3357908) is N-[(2-aminophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide is Nc1ccccc1CNC(=O)c1csc(C2CCCN2)n1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is DPZOPSXUZIUQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c16-11-5-2-1-4-10(11)8-18-14(20)13-9-21-15(19-13)12-6-3-7-17-12/h1-2,4-5,9,12,17H,3,6-8,16H2,(H,18,20).
What are the key properties of N-[(2-aminophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide?
N-[(2-aminophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3357908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).