4-[5-(2-ethoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine

C19H18N6OS — CID 56644695

IUPAC4-[5-(2-ethoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCCOc1ccccc1-c1[nH]ncc1-c1csc(Nc2nccc(C)n2)n1
InChIInChI=1S/C19H18N6OS/c1-3-26-16-7-5-4-6-13(16)17-14(10-21-25-17)15-11-27-19(23-15)24-18-20-9-8-12(2)22-18/h4-11H,3H2,1-2H3,(H,21,25)(H,20,22,23,24)
InChIKeyJUBFUSZRSPPHNN-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.44
Rot. Bonds6

About 4-[5-(2-ethoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine

4-[5-(2-ethoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 56644695) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is 4-[5-(2-ethoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[5-(2-ethoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID56644695
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC Name4-[5-(2-ethoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCCOc1ccccc1-c1[nH]ncc1-c1csc(Nc2nccc(C)n2)n1
InChIInChI=1S/C19H18N6OS/c1-3-26-16-7-5-4-6-13(16)17-14(10-21-25-17)15-11-27-19(23-15)24-18-20-9-8-12(2)22-18/h4-11H,3H2,1-2H3,(H,21,25)(H,20,22,23,24)
InChIKeyJUBFUSZRSPPHNN-UHFFFAOYSA-N
XLogP4.44
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-ethoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[5-(2-ethoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine (CID 56644695) is 4-[5-(2-ethoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[5-(2-ethoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[5-(2-ethoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine is CCOc1ccccc1-c1[nH]ncc1-c1csc(Nc2nccc(C)n2)n1.
What is the InChIKey of 4-[5-(2-ethoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is JUBFUSZRSPPHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS/c1-3-26-16-7-5-4-6-13(16)17-14(10-21-25-17)15-11-27-19(23-15)24-18-20-9-8-12(2)22-18/h4-11H,3H2,1-2H3,(H,21,25)(H,20,22,23,24).
What are the key properties of 4-[5-(2-ethoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine?
4-[5-(2-ethoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 378.46 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-ethoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 56644695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).