3-(2-methoxyphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1H-pyrazole-5-carboxamide

C17H18N4O2S2 — CID 74237284

IUPAC3-(2-methoxyphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCc2csc(CSC)n2)[nH]n1
InChIInChI=1S/C17H18N4O2S2/c1-23-15-6-4-3-5-12(15)13-7-14(21-20-13)17(22)18-8-11-9-25-16(19-11)10-24-2/h3-7,9H,8,10H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyCEYSLCWANSAZAU-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.33
Rot. Bonds7

About 3-(2-methoxyphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1H-pyrazole-5-carboxamide

3-(2-methoxyphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 74237284) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID74237284
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC Name3-(2-methoxyphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCc2csc(CSC)n2)[nH]n1
InChIInChI=1S/C17H18N4O2S2/c1-23-15-6-4-3-5-12(15)13-7-14(21-20-13)17(22)18-8-11-9-25-16(19-11)10-24-2/h3-7,9H,8,10H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyCEYSLCWANSAZAU-UHFFFAOYSA-N
XLogP3.33
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
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3-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
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3-(2-methoxyphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
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N-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46971545
N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1H-pyrazole-5-carboxamide (CID 74237284) is 3-(2-methoxyphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1H-pyrazole-5-carboxamide is COc1ccccc1-c1cc(C(=O)NCc2csc(CSC)n2)[nH]n1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is CEYSLCWANSAZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c1-23-15-6-4-3-5-12(15)13-7-14(21-20-13)17(22)18-8-11-9-25-16(19-11)10-24-2/h3-7,9H,8,10H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 3-(2-methoxyphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1H-pyrazole-5-carboxamide?
3-(2-methoxyphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 74237284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).