N-butyl-2,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide

C18H24N2OS — CID 42793649

IUPACN-butyl-2,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCCCN(Cc1ccccc1C)C(=O)c1sc(C)nc1C
InChIInChI=1S/C18H24N2OS/c1-5-6-11-20(12-16-10-8-7-9-13(16)2)18(21)17-14(3)19-15(4)22-17/h7-10H,5-6,11-12H2,1-4H3
InChIKeyLMZAWEKNZMDBRM-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.51
Rot. Bonds6

About N-butyl-2,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide

N-butyl-2,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 42793649) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is N-butyl-2,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-2,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID42793649
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC NameN-butyl-2,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCCCN(Cc1ccccc1C)C(=O)c1sc(C)nc1C
InChIInChI=1S/C18H24N2OS/c1-5-6-11-20(12-16-10-8-7-9-13(16)2)18(21)17-14(3)19-15(4)22-17/h7-10H,5-6,11-12H2,1-4H3
InChIKeyLMZAWEKNZMDBRM-UHFFFAOYSA-N
XLogP4.51
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-4-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 55982085
N-butyl-4-ethyl-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 77097813
N-butyl-2-(3-chlorophenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 134015239
1-N'-butyl-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 46994186
N-butyl-N-ethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080817
2-methyl-N,N-dipentylbenzamide
CID 4576290
2,4-dimethyl-N,N-bis(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 52564128
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylphenyl)methyl]-N-prop-2-enylacetamide
CID 50965842
3-(N-(2,4-dimethyl-1,3-thiazole-5-carbonyl)anilino)propanoic acid
CID 60832816
2-[butyl(methyl)amino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78787410
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)acetamide
CID 121122681
N-ethyl-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 130667065

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-butyl-2,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide (CID 42793649) is N-butyl-2,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-butyl-2,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-butyl-2,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide is CCCCN(Cc1ccccc1C)C(=O)c1sc(C)nc1C.
What is the InChIKey of N-butyl-2,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is LMZAWEKNZMDBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-5-6-11-20(12-16-10-8-7-9-13(16)2)18(21)17-14(3)19-15(4)22-17/h7-10H,5-6,11-12H2,1-4H3.
What are the key properties of N-butyl-2,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide?
N-butyl-2,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 316.47 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42793649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).