3-[(5-methyl-1,3-thiazol-2-yl)methylamino]-N-phenylbutanamide

C15H19N3OS — CID 75424353

IUPAC3-[(5-methyl-1,3-thiazol-2-yl)methylamino]-N-phenylbutanamide
SMILESCc1cnc(CNC(C)CC(=O)Nc2ccccc2)s1
InChIInChI=1S/C15H19N3OS/c1-11(16-10-15-17-9-12(2)20-15)8-14(19)18-13-6-4-3-5-7-13/h3-7,9,11,16H,8,10H2,1-2H3,(H,18,19)
InChIKeyMFMREZWZWAZBIN-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.96
Rot. Bonds6

About 3-[(5-methyl-1,3-thiazol-2-yl)methylamino]-N-phenylbutanamide

3-[(5-methyl-1,3-thiazol-2-yl)methylamino]-N-phenylbutanamide (PubChem CID 75424353) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-[(5-methyl-1,3-thiazol-2-yl)methylamino]-N-phenylbutanamide.

Molecular Properties

Compound Name3-[(5-methyl-1,3-thiazol-2-yl)methylamino]-N-phenylbutanamide
PubChem CID75424353
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name3-[(5-methyl-1,3-thiazol-2-yl)methylamino]-N-phenylbutanamide
SMILESCc1cnc(CNC(C)CC(=O)Nc2ccccc2)s1
InChIInChI=1S/C15H19N3OS/c1-11(16-10-15-17-9-12(2)20-15)8-14(19)18-13-6-4-3-5-7-13/h3-7,9,11,16H,8,10H2,1-2H3,(H,18,19)
InChIKeyMFMREZWZWAZBIN-UHFFFAOYSA-N
XLogP2.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylamino]butanamide
CID 115724465
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutan-2-amine
CID 103729859
[4-[1-[(5-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]urea
CID 103786277
(3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide
CID 97018627
3-(2,2-difluoroethylamino)-N-phenylbutanamide
CID 114244264
3-(2-methylbutylamino)-N-phenylbutanamide
CID 114244260
(3S)-N-phenyl-3-(2-phenylethylamino)butanamide
CID 97019379
3-(cyclopentylamino)-N-phenylbutanamide
CID 113218911
N-phenyl-3-[(5-phenylpyrimidin-2-yl)amino]butanamide
CID 166392477
2-[(4-anilino-4-oxobutan-2-yl)amino]propanoic acid
CID 114244259
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-N'-phenylethane-1,2-diamine
CID 114128264
6,6,6-trifluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexan-2-amine
CID 104924918

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3-thiazol-2-yl)methylamino]-N-phenylbutanamide?
The IUPAC name of 3-[(5-methyl-1,3-thiazol-2-yl)methylamino]-N-phenylbutanamide (CID 75424353) is 3-[(5-methyl-1,3-thiazol-2-yl)methylamino]-N-phenylbutanamide.
What is the SMILES notation for 3-[(5-methyl-1,3-thiazol-2-yl)methylamino]-N-phenylbutanamide?
The canonical SMILES for 3-[(5-methyl-1,3-thiazol-2-yl)methylamino]-N-phenylbutanamide is Cc1cnc(CNC(C)CC(=O)Nc2ccccc2)s1.
What is the InChIKey of 3-[(5-methyl-1,3-thiazol-2-yl)methylamino]-N-phenylbutanamide?
The InChIKey is MFMREZWZWAZBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11(16-10-15-17-9-12(2)20-15)8-14(19)18-13-6-4-3-5-7-13/h3-7,9,11,16H,8,10H2,1-2H3,(H,18,19).
What are the key properties of 3-[(5-methyl-1,3-thiazol-2-yl)methylamino]-N-phenylbutanamide?
3-[(5-methyl-1,3-thiazol-2-yl)methylamino]-N-phenylbutanamide has a molecular weight of 289.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3-thiazol-2-yl)methylamino]-N-phenylbutanamide is sourced from PubChem (CID 75424353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).