3-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-1,2-thiazole-4-carboxamide

C17H23N3OS — CID 122159118

IUPAC3-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)NCC(C)(C)NC(C)c1ccccc1
InChIInChI=1S/C17H23N3OS/c1-12(14-8-6-5-7-9-14)19-17(3,4)11-18-16(21)15-10-22-20-13(15)2/h5-10,12,19H,11H2,1-4H3,(H,18,21)
InChIKeyFUYZCGIETWTHKI-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.31
Rot. Bonds6

About 3-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-1,2-thiazole-4-carboxamide

3-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-1,2-thiazole-4-carboxamide (PubChem CID 122159118) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 3-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-1,2-thiazole-4-carboxamide
PubChem CID122159118
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name3-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)NCC(C)(C)NC(C)c1ccccc1
InChIInChI=1S/C17H23N3OS/c1-12(14-8-6-5-7-9-14)19-17(3,4)11-18-16(21)15-10-22-20-13(15)2/h5-10,12,19H,11H2,1-4H3,(H,18,21)
InChIKeyFUYZCGIETWTHKI-UHFFFAOYSA-N
XLogP3.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-3-methyl-1,2-thiazole-4-carboxamide
CID 110028233
3-methyl-N-[(1S)-1-(4-phenylphenyl)ethyl]-1,2-thiazole-4-carboxamide
CID 97255775
(E)-N-[2-methyl-2-[[(1R)-1-phenylethyl]amino]propyl]-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 95336788
2-methyl-2-(1-phenylethylamino)propan-1-ol
CID 60720568
1-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-(4-nitrophenyl)pyrazole-4-carboxamide
CID 86904211
3-amino-2-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide;dihydrochloride
CID 119877886
N-[2-methyl-2-[[(1R)-1-phenylethyl]amino]propyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 95153761
2-amino-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide
CID 119877877
N-(2-bromoprop-2-enyl)-3-methyl-1,2-thiazole-4-carboxamide
CID 131207229
4-(hydroxymethyl)-N-[2-methyl-2-(1-phenylethylamino)propyl]piperidine-1-carboxamide
CID 111123444
8-[(3-methyl-1,2-thiazole-4-carbonyl)amino]octanoic acid
CID 120535597
1-(3-imidazol-1-ylpropyl)-3-[2-methyl-2-[[(1S)-1-phenylethyl]amino]propyl]urea
CID 95294802

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-1,2-thiazole-4-carboxamide (CID 122159118) is 3-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-1,2-thiazole-4-carboxamide is Cc1nscc1C(=O)NCC(C)(C)NC(C)c1ccccc1.
What is the InChIKey of 3-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-1,2-thiazole-4-carboxamide?
The InChIKey is FUYZCGIETWTHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-12(14-8-6-5-7-9-14)19-17(3,4)11-18-16(21)15-10-22-20-13(15)2/h5-10,12,19H,11H2,1-4H3,(H,18,21).
What are the key properties of 3-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-1,2-thiazole-4-carboxamide?
3-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-1,2-thiazole-4-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 122159118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).