N-(5-amino-2-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide

C14H18N4OS — CID 43187425

IUPACN-(5-amino-2-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
SMILESCc1ccc(N)cc1NC(=O)C(C)Sc1nccn1C
InChIInChI=1S/C14H18N4OS/c1-9-4-5-11(15)8-12(9)17-13(19)10(2)20-14-16-6-7-18(14)3/h4-8,10H,15H2,1-3H3,(H,17,19)
InChIKeyWJGMGFOHWFEVQX-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.43
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide

N-(5-amino-2-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide (PubChem CID 43187425) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
PubChem CID43187425
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-(5-amino-2-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
SMILESCc1ccc(N)cc1NC(=O)C(C)Sc1nccn1C
InChIInChI=1S/C14H18N4OS/c1-9-4-5-11(15)8-12(9)17-13(19)10(2)20-14-16-6-7-18(14)3/h4-8,10H,15H2,1-3H3,(H,17,19)
InChIKeyWJGMGFOHWFEVQX-UHFFFAOYSA-N
XLogP2.43
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.43
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-(5-amino-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide
CID 62408592
(2S)-2-(1-methylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)propanamide
CID 40529199
N-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide
CID 43187416
(2S)-N-(4-bromo-2-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 40665575
4-[[(2S)-2-(1-methylimidazol-2-yl)sulfanylpropanoyl]amino]benzamide
CID 40608634
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 40665594
N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 43109464
(2R)-N-(3-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 40529142
N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 55423839
N-(5-amino-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103355465
2-chloro-5-[2-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoic acid
CID 23830355
(2S)-N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 40529318

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide (CID 43187425) is N-(5-amino-2-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide is Cc1ccc(N)cc1NC(=O)C(C)Sc1nccn1C.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide?
The InChIKey is WJGMGFOHWFEVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9-4-5-11(15)8-12(9)17-13(19)10(2)20-14-16-6-7-18(14)3/h4-8,10H,15H2,1-3H3,(H,17,19).
What are the key properties of N-(5-amino-2-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide?
N-(5-amino-2-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide has a molecular weight of 290.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 43187425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).