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

C17H22N2OS — CID 110645176

IUPACN-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]pentanamide
SMILESCCCCC(=O)NCc1ncc(Cc2ccc(C)cc2)s1
InChIInChI=1S/C17H22N2OS/c1-3-4-5-16(20)18-12-17-19-11-15(21-17)10-14-8-6-13(2)7-9-14/h6-9,11H,3-5,10,12H2,1-2H3,(H,18,20)
InChIKeyHREHHWAISKOTKE-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.85
Rot. Bonds7

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

N-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]pentanamide (PubChem CID 110645176) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]pentanamide.

Molecular Properties

Compound NameN-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]pentanamide
PubChem CID110645176
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]pentanamide
SMILESCCCCC(=O)NCc1ncc(Cc2ccc(C)cc2)s1
InChIInChI=1S/C17H22N2OS/c1-3-4-5-16(20)18-12-17-19-11-15(21-17)10-14-8-6-13(2)7-9-14/h6-9,11H,3-5,10,12H2,1-2H3,(H,18,20)
InChIKeyHREHHWAISKOTKE-UHFFFAOYSA-N
XLogP3.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide
CID 110645219
3-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 110738979
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110235
N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-3-(3-methoxyphenyl)propanamide
CID 110645143
N-[(4-methylphenyl)methyl]butanamide
CID 835678
N-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62329930
2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide
CID 103814839
2-(4-butylanilino)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2240008
4-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 27407172
N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pentanamide
CID 108738364

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]pentanamide?
The IUPAC name of N-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]pentanamide (CID 110645176) is N-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]pentanamide.
What is the SMILES notation for N-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]pentanamide?
The canonical SMILES for N-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]pentanamide is CCCCC(=O)NCc1ncc(Cc2ccc(C)cc2)s1.
What is the InChIKey of N-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]pentanamide?
The InChIKey is HREHHWAISKOTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-3-4-5-16(20)18-12-17-19-11-15(21-17)10-14-8-6-13(2)7-9-14/h6-9,11H,3-5,10,12H2,1-2H3,(H,18,20).
What are the key properties of N-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]pentanamide?
N-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]pentanamide has a molecular weight of 302.44 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]pentanamide is sourced from PubChem (CID 110645176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).