N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-2-ethylbutanamide

C18H24N2OS — CID 110421255

IUPACN-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1nc(C)c(Cc2ccccc2)s1
InChIInChI=1S/C18H24N2OS/c1-4-15(5-2)18(21)19-12-17-20-13(3)16(22-17)11-14-9-7-6-8-10-14/h6-10,15H,4-5,11-12H2,1-3H3,(H,19,21)
InChIKeyJQDMWAYCKXXTKM-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.09
Rot. Bonds7

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

N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-2-ethylbutanamide (PubChem CID 110421255) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-2-ethylbutanamide
PubChem CID110421255
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC NameN-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1nc(C)c(Cc2ccccc2)s1
InChIInChI=1S/C18H24N2OS/c1-4-15(5-2)18(21)19-12-17-20-13(3)16(22-17)11-14-9-7-6-8-10-14/h6-10,15H,4-5,11-12H2,1-3H3,(H,19,21)
InChIKeyJQDMWAYCKXXTKM-UHFFFAOYSA-N
XLogP4.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]urea
CID 110645409
N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide
CID 110421315
N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methoxyphenyl)propanamide
CID 110421321
N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide
CID 47098657
2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]benzamide
CID 110645392
N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbutanamide
CID 110645528
N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide
CID 110421328
2-[2-[2-(benzylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82155047
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
(2S)-2-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide
CID 119316963
2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)acetamide
CID 110372288
N-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide
CID 110645371

Frequently Asked Questions

What is the IUPAC name of N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-2-ethylbutanamide?
The IUPAC name of N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-2-ethylbutanamide (CID 110421255) is N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-2-ethylbutanamide.
What is the SMILES notation for N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-2-ethylbutanamide?
The canonical SMILES for N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-2-ethylbutanamide is CCC(CC)C(=O)NCc1nc(C)c(Cc2ccccc2)s1.
What is the InChIKey of N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-2-ethylbutanamide?
The InChIKey is JQDMWAYCKXXTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-4-15(5-2)18(21)19-12-17-20-13(3)16(22-17)11-14-9-7-6-8-10-14/h6-10,15H,4-5,11-12H2,1-3H3,(H,19,21).
What are the key properties of N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-2-ethylbutanamide?
N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-2-ethylbutanamide has a molecular weight of 316.47 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-2-ethylbutanamide is sourced from PubChem (CID 110421255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).