2-(4-aminophenyl)-2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide

C18H18N4OS — CID 110451855

IUPAC2-(4-aminophenyl)-2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nc(-c2ccncc2)cs1)c1ccc(N)cc1
InChIInChI=1S/C18H18N4OS/c1-18(2,13-3-5-14(19)6-4-13)16(23)22-17-21-15(11-24-17)12-7-9-20-10-8-12/h3-11H,19H2,1-2H3,(H,21,22,23)
InChIKeyXIRFLAJSCKIRLU-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.70
Rot. Bonds4

About 2-(4-aminophenyl)-2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide

2-(4-aminophenyl)-2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 110451855) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
PubChem CID110451855
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name2-(4-aminophenyl)-2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nc(-c2ccncc2)cs1)c1ccc(N)cc1
InChIInChI=1S/C18H18N4OS/c1-18(2,13-3-5-14(19)6-4-13)16(23)22-17-21-15(11-24-17)12-7-9-20-10-8-12/h3-11H,19H2,1-2H3,(H,21,22,23)
InChIKeyXIRFLAJSCKIRLU-UHFFFAOYSA-N
XLogP3.70
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.70
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-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949174
3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1-dimethylurea
CID 79153497
2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 4800922
4-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,4-diamine bromide
CID 53346790
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 896408
4-tert-butyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492839
4-(4-aminophenyl)-N-(4-tert-butylphenyl)-1,3-thiazol-2-amine
CID 82028311
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide
CID 28861346
4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 22581409
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 3288116
2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide
CID 112767499
N,N'-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]hexanediamide
CID 3376652

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-aminophenyl)-2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide (CID 110451855) is 2-(4-aminophenyl)-2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-aminophenyl)-2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-aminophenyl)-2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide is CC(C)(C(=O)Nc1nc(-c2ccncc2)cs1)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is XIRFLAJSCKIRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-18(2,13-3-5-14(19)6-4-13)16(23)22-17-21-15(11-24-17)12-7-9-20-10-8-12/h3-11H,19H2,1-2H3,(H,21,22,23).
What are the key properties of 2-(4-aminophenyl)-2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
2-(4-aminophenyl)-2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 338.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110451855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).