4-[3-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-2-amine

C16H18N4O2S — CID 86692031

IUPAC4-[3-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-2-amine
SMILESCOCc1nn(Cc2ccc(OC)cc2)cc1-c1csc(N)n1
InChIInChI=1S/C16H18N4O2S/c1-21-9-14-13(15-10-23-16(17)18-15)8-20(19-14)7-11-3-5-12(22-2)6-4-11/h3-6,8,10H,7,9H2,1-2H3,(H2,17,18)
InChIKeyANNSZKULAGEAPA-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.79
Rot. Bonds6

About 4-[3-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-2-amine

4-[3-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-2-amine (PubChem CID 86692031) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-2-amine
PubChem CID86692031
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name4-[3-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-2-amine
SMILESCOCc1nn(Cc2ccc(OC)cc2)cc1-c1csc(N)n1
InChIInChI=1S/C16H18N4O2S/c1-21-9-14-13(15-10-23-16(17)18-15)8-20(19-14)7-11-3-5-12(22-2)6-4-11/h3-6,8,10H,7,9H2,1-2H3,(H2,17,18)
InChIKeyANNSZKULAGEAPA-UHFFFAOYSA-N
XLogP2.79
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-2-amine (CID 86692031) is 4-[3-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-2-amine is COCc1nn(Cc2ccc(OC)cc2)cc1-c1csc(N)n1.
What is the InChIKey of 4-[3-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-2-amine?
The InChIKey is ANNSZKULAGEAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-21-9-14-13(15-10-23-16(17)18-15)8-20(19-14)7-11-3-5-12(22-2)6-4-11/h3-6,8,10H,7,9H2,1-2H3,(H2,17,18).
What are the key properties of 4-[3-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-2-amine?
4-[3-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-2-amine has a molecular weight of 330.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 86692031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).