N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C19H22N4O2S — CID 86836671

IUPACN-[[3-(2-methylpropoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)COc1cccc(CNC(=O)c2csc(-c3cnn(C)c3)n2)c1
InChIInChI=1S/C19H22N4O2S/c1-13(2)11-25-16-6-4-5-14(7-16)8-20-18(24)17-12-26-19(22-17)15-9-21-23(3)10-15/h4-7,9-10,12-13H,8,11H2,1-3H3,(H,20,24)
InChIKeyZMCWYYGKSRLHJQ-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.51
Rot. Bonds7

About N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 86836671) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-methylpropoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID86836671
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[[3-(2-methylpropoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)COc1cccc(CNC(=O)c2csc(-c3cnn(C)c3)n2)c1
InChIInChI=1S/C19H22N4O2S/c1-13(2)11-25-16-6-4-5-14(7-16)8-20-18(24)17-12-26-19(22-17)15-9-21-23(3)10-15/h4-7,9-10,12-13H,8,11H2,1-3H3,(H,20,24)
InChIKeyZMCWYYGKSRLHJQ-UHFFFAOYSA-N
XLogP3.51
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2-methylpropoxy)phenyl]-N-[(3-phenoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 42866994
N-[2-(3-methoxyphenoxy)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55792234
2-[4-(2-methylpropoxy)phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42865899
N-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 78887275
2-(1-methylpyrazol-4-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 46492572
3-(2-methylpropoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 108749130
N-(2-hydroxy-2,3-dimethylbutyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 111484287
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55847165
2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbohydrazide
CID 82515992
N-[2-(N-methylanilino)propyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55791148
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066488
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 86866208

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 86836671) is N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is CC(C)COc1cccc(CNC(=O)c2csc(-c3cnn(C)c3)n2)c1.
What is the InChIKey of N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZMCWYYGKSRLHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-13(2)11-25-16-6-4-5-14(7-16)8-20-18(24)17-12-26-19(22-17)15-9-21-23(3)10-15/h4-7,9-10,12-13H,8,11H2,1-3H3,(H,20,24).
What are the key properties of N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86836671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).