N-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

C14H17N3O2S — CID 72882324

IUPACN-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCOCCN(Cc1cccnc1)C(=O)c1csc(C)n1
InChIInChI=1S/C14H17N3O2S/c1-11-16-13(10-20-11)14(18)17(6-7-19-2)9-12-4-3-5-15-8-12/h3-5,8,10H,6-7,9H2,1-2H3
InChIKeyKBVAATUAMDUFOM-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.14
Rot. Bonds6

About N-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

N-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 72882324) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID72882324
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCOCCN(Cc1cccnc1)C(=O)c1csc(C)n1
InChIInChI=1S/C14H17N3O2S/c1-11-16-13(10-20-11)14(18)17(6-7-19-2)9-12-4-3-5-15-8-12/h3-5,8,10H,6-7,9H2,1-2H3
InChIKeyKBVAATUAMDUFOM-UHFFFAOYSA-N
XLogP2.14
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 72882324) is N-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is COCCN(Cc1cccnc1)C(=O)c1csc(C)n1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is KBVAATUAMDUFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-11-16-13(10-20-11)14(18)17(6-7-19-2)9-12-4-3-5-15-8-12/h3-5,8,10H,6-7,9H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
N-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 72882324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).