N-[4-[2-[benzyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide

C21H23N3OS — CID 42765930

IUPACN-[4-[2-[benzyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(-c2csc(N(C)Cc3ccccc3)n2)cc1
InChIInChI=1S/C21H23N3OS/c1-15(2)20(25)22-18-11-9-17(10-12-18)19-14-26-21(23-19)24(3)13-16-7-5-4-6-8-16/h4-12,14-15H,13H2,1-3H3,(H,22,25)
InChIKeyPORLPXNZYPTXQG-UHFFFAOYSA-N
MW365.50 g/mol
LogP5.04
Rot. Bonds6

About N-[4-[2-[benzyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide

N-[4-[2-[benzyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide (PubChem CID 42765930) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[4-[2-[benzyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[benzyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
PubChem CID42765930
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-[4-[2-[benzyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(-c2csc(N(C)Cc3ccccc3)n2)cc1
InChIInChI=1S/C21H23N3OS/c1-15(2)20(25)22-18-11-9-17(10-12-18)19-14-26-21(23-19)24(3)13-16-7-5-4-6-8-16/h4-12,14-15H,13H2,1-3H3,(H,22,25)
InChIKeyPORLPXNZYPTXQG-UHFFFAOYSA-N
XLogP5.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(diethylamino)-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
CID 810454
4-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoic acid
CID 67146644
4-[[methyl-[4-[4-[methyl(3-phenylpropyl)amino]phenyl]-1,3-thiazol-2-yl]amino]methyl]benzoic acid
CID 23024070
2-[[4-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]methyl]benzoyl]amino]-3-phenylpropanoic acid
CID 11569690
methyl 2-[4-[[4-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]phenyl]methoxy]phenyl]acetate
CID 68883515
2-[[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]methyl]benzoyl]amino]propanoic acid
CID 23879499
N-[4-(dimethylamino)phenyl]-2-[(2-phenylacetyl)-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]propanamide
CID 43821002
N-[4-[2-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
CID 9343938
2-(4-acetamidophenyl)sulfanyl-N-benzyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 16543501
2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 810330
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxypropanamide
CID 46436013
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-methylpropanoic acid
CID 82310167

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[benzyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-[benzyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide (CID 42765930) is N-[4-[2-[benzyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-[benzyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-[benzyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(-c2csc(N(C)Cc3ccccc3)n2)cc1.
What is the InChIKey of N-[4-[2-[benzyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide?
The InChIKey is PORLPXNZYPTXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-15(2)20(25)22-18-11-9-17(10-12-18)19-14-26-21(23-19)24(3)13-16-7-5-4-6-8-16/h4-12,14-15H,13H2,1-3H3,(H,22,25).
What are the key properties of N-[4-[2-[benzyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide?
N-[4-[2-[benzyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide has a molecular weight of 365.50 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[benzyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 42765930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).