N-butyl-4-ethyl-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide

C17H23N3OS — CID 77097813

IUPACN-butyl-4-ethyl-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCCCCN(Cc1ccncc1)C(=O)c1sc(C)nc1CC
InChIInChI=1S/C17H23N3OS/c1-4-6-11-20(12-14-7-9-18-10-8-14)17(21)16-15(5-2)19-13(3)22-16/h7-10H,4-6,11-12H2,1-3H3
InChIKeyYZLKRMSONYLVLJ-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.85
Rot. Bonds7

About N-butyl-4-ethyl-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide

N-butyl-4-ethyl-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 77097813) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-butyl-4-ethyl-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-4-ethyl-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID77097813
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-butyl-4-ethyl-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCCCCN(Cc1ccncc1)C(=O)c1sc(C)nc1CC
InChIInChI=1S/C17H23N3OS/c1-4-6-11-20(12-14-7-9-18-10-8-14)17(21)16-15(5-2)19-13(3)22-16/h7-10H,4-6,11-12H2,1-3H3
InChIKeyYZLKRMSONYLVLJ-UHFFFAOYSA-N
XLogP3.85
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-ethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080817
N-pentyl-N-(pyridin-4-ylmethyl)acetamide
CID 46205843
N-butyl-2,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 42793649
2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 55115723
N-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 119074443
4-methyl-N-(3-morpholin-4-ylpropyl)-2-propyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 56536420
N-butyl-1-methyl-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide
CID 77080314
N-butyl-N-(2-chloroethyl)pyridine-4-carboxamide
CID 63390664
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 86977437
N-benzyl-N-butyl-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide
CID 142658870
N-butyl-N-methylpyridine-4-carboxamide;hydrochloride
CID 110756274

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-ethyl-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-butyl-4-ethyl-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide (CID 77097813) is N-butyl-4-ethyl-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-butyl-4-ethyl-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-butyl-4-ethyl-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide is CCCCN(Cc1ccncc1)C(=O)c1sc(C)nc1CC.
What is the InChIKey of N-butyl-4-ethyl-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YZLKRMSONYLVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-4-6-11-20(12-14-7-9-18-10-8-14)17(21)16-15(5-2)19-13(3)22-16/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of N-butyl-4-ethyl-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
N-butyl-4-ethyl-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-ethyl-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 77097813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).