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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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).