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

C16H20N2OS — CID 19172938

IUPACN-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1
InChIInChI=1S/C16H20N2OS/c1-4-5-6-14(19)17-16-18-15(12(3)20-16)13-9-7-11(2)8-10-13/h7-10H,4-6H2,1-3H3,(H,17,18,19)
InChIKeyBETIYYKWZVSLMW-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.56
Rot. Bonds5

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

N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide (PubChem CID 19172938) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide.

Molecular Properties

Compound NameN-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide
PubChem CID19172938
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1
InChIInChI=1S/C16H20N2OS/c1-4-5-6-14(19)17-16-18-15(12(3)20-16)13-9-7-11(2)8-10-13/h7-10H,4-6H2,1-3H3,(H,17,18,19)
InChIKeyBETIYYKWZVSLMW-UHFFFAOYSA-N
XLogP4.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 48998332
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 19218771
4-amino-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 119267039
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 19183929
N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide
CID 5181179
7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide
CID 119681442
4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119264694
3-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 19226381
4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 3431018

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide?
The IUPAC name of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide (CID 19172938) is N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide.
What is the SMILES notation for N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide?
The canonical SMILES for N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide is CCCCC(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1.
What is the InChIKey of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide?
The InChIKey is BETIYYKWZVSLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-4-5-6-14(19)17-16-18-15(12(3)20-16)13-9-7-11(2)8-10-13/h7-10H,4-6H2,1-3H3,(H,17,18,19).
What are the key properties of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide?
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide has a molecular weight of 288.42 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide is sourced from PubChem (CID 19172938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).