N-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide

C16H21N3O2S — CID 75427901

IUPACN-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide
SMILESCOc1ccccc1NC(=O)CC(C)NCc1scnc1C
InChIInChI=1S/C16H21N3O2S/c1-11(17-9-15-12(2)18-10-22-15)8-16(20)19-13-6-4-5-7-14(13)21-3/h4-7,10-11,17H,8-9H2,1-3H3,(H,19,20)
InChIKeyYISDWHFHMQESDE-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.97
Rot. Bonds7

About N-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide

N-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide (PubChem CID 75427901) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide
PubChem CID75427901
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide
SMILESCOc1ccccc1NC(=O)CC(C)NCc1scnc1C
InChIInChI=1S/C16H21N3O2S/c1-11(17-9-15-12(2)18-10-22-15)8-16(20)19-13-6-4-5-7-14(13)21-3/h4-7,10-11,17H,8-9H2,1-3H3,(H,19,20)
InChIKeyYISDWHFHMQESDE-UHFFFAOYSA-N
XLogP2.97
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide?
The IUPAC name of N-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide (CID 75427901) is N-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide is COc1ccccc1NC(=O)CC(C)NCc1scnc1C.
What is the InChIKey of N-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide?
The InChIKey is YISDWHFHMQESDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11(17-9-15-12(2)18-10-22-15)8-16(20)19-13-6-4-5-7-14(13)21-3/h4-7,10-11,17H,8-9H2,1-3H3,(H,19,20).
What are the key properties of N-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide?
N-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide has a molecular weight of 319.43 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide is sourced from PubChem (CID 75427901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).