N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide

C17H22N2O3S — CID 48998332

IUPACN-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nc(-c2ccc(OC)c(OC)c2)c(C)s1
InChIInChI=1S/C17H22N2O3S/c1-5-6-7-15(20)18-17-19-16(11(2)23-17)12-8-9-13(21-3)14(10-12)22-4/h8-10H,5-7H2,1-4H3,(H,18,19,20)
InChIKeyIIMFKVSFURCGOD-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.26
Rot. Bonds7

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

N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide (PubChem CID 48998332) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
PubChem CID48998332
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nc(-c2ccc(OC)c(OC)c2)c(C)s1
InChIInChI=1S/C17H22N2O3S/c1-5-6-7-15(20)18-17-19-16(11(2)23-17)12-8-9-13(21-3)14(10-12)22-4/h8-10H,5-7H2,1-4H3,(H,18,19,20)
InChIKeyIIMFKVSFURCGOD-UHFFFAOYSA-N
XLogP4.26
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 19172938
N-butyl-4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 52794394
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 19210425
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 3323337
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 108761148
3-amino-N-[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 39183232
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 108810237
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 1347169
3-(2,5-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 38041071
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,3-difluorobenzamide
CID 75466790
4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119264694
4-(4-chlorophenyl)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 108738324

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide (CID 48998332) is N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide is CCCCC(=O)Nc1nc(-c2ccc(OC)c(OC)c2)c(C)s1.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide?
The InChIKey is IIMFKVSFURCGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-5-6-7-15(20)18-17-19-16(11(2)23-17)12-8-9-13(21-3)14(10-12)22-4/h8-10H,5-7H2,1-4H3,(H,18,19,20).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide?
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide has a molecular weight of 334.44 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide is sourced from PubChem (CID 48998332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).