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

C16H20N2O2S — CID 43836410

IUPACN-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(C)c(Cc2ccc(OC)cc2)s1
InChIInChI=1S/C16H20N2O2S/c1-4-5-15(19)18-16-17-11(2)14(21-16)10-12-6-8-13(20-3)9-7-12/h6-9H,4-5,10H2,1-3H3,(H,17,18,19)
InChIKeyRGMFMRIRWRTXOJ-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.79
Rot. Bonds6

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

N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanamide (PubChem CID 43836410) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanamide
PubChem CID43836410
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(C)c(Cc2ccc(OC)cc2)s1
InChIInChI=1S/C16H20N2O2S/c1-4-5-15(19)18-16-17-11(2)14(21-16)10-12-6-8-13(20-3)9-7-12/h6-9H,4-5,10H2,1-3H3,(H,17,18,19)
InChIKeyRGMFMRIRWRTXOJ-UHFFFAOYSA-N
XLogP3.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 43836662
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55896712
4-fluoro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836518
2-chloro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836464
N-ethyl-N'-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanediamide
CID 56786830
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8797725
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)propanamide
CID 43837040
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
3-(5-methylfuran-2-yl)-N-[4-methyl-5-[(4-nitrophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 43837043
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 121122601
N-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]butanamide
CID 17202461
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylacetamide
CID 87026704

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanamide?
The IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanamide (CID 43836410) is N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanamide is CCCC(=O)Nc1nc(C)c(Cc2ccc(OC)cc2)s1.
What is the InChIKey of N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanamide?
The InChIKey is RGMFMRIRWRTXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-5-15(19)18-16-17-11(2)14(21-16)10-12-6-8-13(20-3)9-7-12/h6-9H,4-5,10H2,1-3H3,(H,17,18,19).
What are the key properties of N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanamide?
N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanamide has a molecular weight of 304.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 43836410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).