N-(2-aminophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide

C15H20N4OS — CID 63842600

IUPACN-(2-aminophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide
SMILESCc1ncsc1CN(C)CCC(=O)Nc1ccccc1N
InChIInChI=1S/C15H20N4OS/c1-11-14(21-10-17-11)9-19(2)8-7-15(20)18-13-6-4-3-5-12(13)16/h3-6,10H,7-9,16H2,1-2H3,(H,18,20)
InChIKeyDOZRSLWEWFQIDU-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.49
Rot. Bonds6

About N-(2-aminophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide

N-(2-aminophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide (PubChem CID 63842600) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide
PubChem CID63842600
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-(2-aminophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide
SMILESCc1ncsc1CN(C)CCC(=O)Nc1ccccc1N
InChIInChI=1S/C15H20N4OS/c1-11-14(21-10-17-11)9-19(2)8-7-15(20)18-13-6-4-3-5-12(13)16/h3-6,10H,7-9,16H2,1-2H3,(H,18,20)
InChIKeyDOZRSLWEWFQIDU-UHFFFAOYSA-N
XLogP2.49
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylphenyl)-3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propanamide
CID 91830831
N-(2-aminophenyl)-3-[methoxy(methyl)amino]propanamide
CID 43627652
N-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide
CID 43570657
hydrazinyl 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanoate
CID 66338786
2-[2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]acetic acid
CID 115462913
2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]benzoic acid
CID 63837681
3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-pyridin-3-ylpropanamide
CID 91833614
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
methyl 2-[2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]acetate
CID 115462912
N-(2-aminophenyl)-3-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 114948159
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide
CID 104742351
N-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide?
The IUPAC name of N-(2-aminophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide (CID 63842600) is N-(2-aminophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide is Cc1ncsc1CN(C)CCC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide?
The InChIKey is DOZRSLWEWFQIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11-14(21-10-17-11)9-19(2)8-7-15(20)18-13-6-4-3-5-12(13)16/h3-6,10H,7-9,16H2,1-2H3,(H,18,20).
What are the key properties of N-(2-aminophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide?
N-(2-aminophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide has a molecular weight of 304.42 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide is sourced from PubChem (CID 63842600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).