N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methyl-3-propylpyrazole-5-carboxamide

C19H22N4O2S — CID 70754165

IUPACN-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)NCc2cnc(-c3ccccc3OC)s2)n(C)n1
InChIInChI=1S/C19H22N4O2S/c1-4-7-13-10-16(23(2)22-13)18(24)20-11-14-12-21-19(26-14)15-8-5-6-9-17(15)25-3/h5-6,8-10,12H,4,7,11H2,1-3H3,(H,20,24)
InChIKeyOZAJHRZRWDLAFP-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.43
Rot. Bonds7

About N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methyl-3-propylpyrazole-5-carboxamide

N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methyl-3-propylpyrazole-5-carboxamide (PubChem CID 70754165) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methyl-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methyl-3-propylpyrazole-5-carboxamide
PubChem CID70754165
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)NCc2cnc(-c3ccccc3OC)s2)n(C)n1
InChIInChI=1S/C19H22N4O2S/c1-4-7-13-10-16(23(2)22-13)18(24)20-11-14-12-21-19(26-14)15-8-5-6-9-17(15)25-3/h5-6,8-10,12H,4,7,11H2,1-3H3,(H,20,24)
InChIKeyOZAJHRZRWDLAFP-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-fluoro-4-hydroxyphenyl)-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 137345174
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CID 82303207
N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42879371
1-ethyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
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N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 131915312
1-methyl-N-[[5-(methylcarbamoyl)furan-2-yl]methyl]-3-propylpyrazole-5-carboxamide
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(3S)-1-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1,3-dicarboxamide
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N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
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3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-N-methylpropan-1-amine
CID 115091896
3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115091894
1-methyl-3-propyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide
CID 70742885
1-methyl-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]-3-propylpyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methyl-3-propylpyrazole-5-carboxamide?
The IUPAC name of N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methyl-3-propylpyrazole-5-carboxamide (CID 70754165) is N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methyl-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methyl-3-propylpyrazole-5-carboxamide?
The canonical SMILES for N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methyl-3-propylpyrazole-5-carboxamide is CCCc1cc(C(=O)NCc2cnc(-c3ccccc3OC)s2)n(C)n1.
What is the InChIKey of N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methyl-3-propylpyrazole-5-carboxamide?
The InChIKey is OZAJHRZRWDLAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-4-7-13-10-16(23(2)22-13)18(24)20-11-14-12-21-19(26-14)15-8-5-6-9-17(15)25-3/h5-6,8-10,12H,4,7,11H2,1-3H3,(H,20,24).
What are the key properties of N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methyl-3-propylpyrazole-5-carboxamide?
N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methyl-3-propylpyrazole-5-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methyl-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 70754165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).