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

C16H21N3OS — CID 80555225

IUPAC2-(4-aminophenyl)-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncsc1CN(C)C(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C16H21N3OS/c1-11-14(21-10-18-11)9-19(4)15(20)16(2,3)12-5-7-13(17)8-6-12/h5-8,10H,9,17H2,1-4H3
InChIKeyLUZKPBPGCQFARD-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.97
Rot. Bonds4

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

2-(4-aminophenyl)-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 80555225) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID80555225
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-(4-aminophenyl)-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncsc1CN(C)C(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C16H21N3OS/c1-11-14(21-10-18-11)9-19(4)15(20)16(2,3)12-5-7-13(17)8-6-12/h5-8,10H,9,17H2,1-4H3
InChIKeyLUZKPBPGCQFARD-UHFFFAOYSA-N
XLogP2.97
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-tert-butylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 11617549
N-[4-(propan-2-yl)phenyl]-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644838
N-(4-(2-methylthiazol-4-yl)phenyl)-2-phenylacetamide
CID 2110572
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-butyramide
CID 6487931
N-cyclohexyl-2-(3-fluoro-N-[2-(1,3-thiazol-4-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
CID 68056459
4-Methyl-N-[4-(2-oxo-1-pyrrolidinyl)benzyl]-1,3-thiazole-5-carboxamide
CID 647572
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]hexanamide
CID 2701305
N-(4-isopropylphenyl)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-3-piperidinamine
CID 24790887
trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(4-methyl-1,3-thiazol-2-yl)-N-(4-phenylphenyl)cyclopropane-1-carboxamide
CID 118727643
N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]acetamide
CID 76324807
N-(4-{2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl}phenyl)acetamide
CID 122243076
5-(4-ethylphenyl)-1-(4-methyl-1,3-thiazole-5-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 68058705

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of 2-(4-aminophenyl)-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide (CID 80555225) is 2-(4-aminophenyl)-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-(4-aminophenyl)-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide is Cc1ncsc1CN(C)C(=O)C(C)(C)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is LUZKPBPGCQFARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11-14(21-10-18-11)9-19(4)15(20)16(2,3)12-5-7-13(17)8-6-12/h5-8,10H,9,17H2,1-4H3.
What are the key properties of 2-(4-aminophenyl)-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide?
2-(4-aminophenyl)-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 303.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 80555225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).