N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-carboxamide

C15H22N4O2S — CID 71976740

IUPACN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-carboxamide
SMILESCOC(C)c1nc(CN(C)C(=O)c2c(C)nn(C)c2C)cs1
InChIInChI=1S/C15H22N4O2S/c1-9-13(10(2)19(5)17-9)15(20)18(4)7-12-8-22-14(16-12)11(3)21-6/h8,11H,7H2,1-6H3
InChIKeyWKYGHALGPXMEOC-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.47
Rot. Bonds5

About N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-carboxamide

N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-carboxamide (PubChem CID 71976740) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-carboxamide
PubChem CID71976740
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-carboxamide
SMILESCOC(C)c1nc(CN(C)C(=O)c2c(C)nn(C)c2C)cs1
InChIInChI=1S/C15H22N4O2S/c1-9-13(10(2)19(5)17-9)15(20)18(4)7-12-8-22-14(16-12)11(3)21-6/h8,11H,7H2,1-6H3
InChIKeyWKYGHALGPXMEOC-UHFFFAOYSA-N
XLogP2.47
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-carboxamide?
The IUPAC name of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-carboxamide (CID 71976740) is N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-carboxamide?
The canonical SMILES for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-carboxamide is COC(C)c1nc(CN(C)C(=O)c2c(C)nn(C)c2C)cs1.
What is the InChIKey of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-carboxamide?
The InChIKey is WKYGHALGPXMEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-9-13(10(2)19(5)17-9)15(20)18(4)7-12-8-22-14(16-12)11(3)21-6/h8,11H,7H2,1-6H3.
What are the key properties of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-carboxamide?
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-carboxamide is sourced from PubChem (CID 71976740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).