2-benzyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide

C18H20N4O2S — CID 70751053

IUPAC2-benzyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCOCC(NC(=O)c1csc(Cc2ccccc2)n1)c1ccnn1C
InChIInChI=1S/C18H20N4O2S/c1-22-16(8-9-19-22)14(11-24-2)21-18(23)15-12-25-17(20-15)10-13-6-4-3-5-7-13/h3-9,12,14H,10-11H2,1-2H3,(H,21,23)
InChIKeyUDKBTNDIYAYWEX-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.58
Rot. Bonds7

About 2-benzyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide

2-benzyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 70751053) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-benzyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID70751053
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name2-benzyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCOCC(NC(=O)c1csc(Cc2ccccc2)n1)c1ccnn1C
InChIInChI=1S/C18H20N4O2S/c1-22-16(8-9-19-22)14(11-24-2)21-18(23)15-12-25-17(20-15)10-13-6-4-3-5-7-13/h3-9,12,14H,10-11H2,1-2H3,(H,21,23)
InChIKeyUDKBTNDIYAYWEX-UHFFFAOYSA-N
XLogP2.58
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 38766578
2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 110436454
N-[(2S)-1-aminopropan-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide
CID 120508270
2-benzyl-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 97042057
N-[1-(2-methylpyrazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 91842330
2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 91776008
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 91760742
N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylbenzamide
CID 95144214
2-benzyl-1,3-thiazole-4-carboxylic acid;ethane
CID 91419300
2-ethylsulfanyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 135104273
2-(1-benzylpiperidin-4-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 124850321

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 70751053) is 2-benzyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide is COCC(NC(=O)c1csc(Cc2ccccc2)n1)c1ccnn1C.
What is the InChIKey of 2-benzyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is UDKBTNDIYAYWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-22-16(8-9-19-22)14(11-24-2)21-18(23)15-12-25-17(20-15)10-13-6-4-3-5-7-13/h3-9,12,14H,10-11H2,1-2H3,(H,21,23).
What are the key properties of 2-benzyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-benzyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70751053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).