N-(furan-2-ylmethyl)-5-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine

C21H22N4O2S — CID 42368289

IUPACN-(furan-2-ylmethyl)-5-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(CCn2ccc(-c3sc(NCc4ccco4)nc3C)n2)cc1
InChIInChI=1S/C21H22N4O2S/c1-15-20(28-21(23-15)22-14-18-4-3-13-27-18)19-10-12-25(24-19)11-9-16-5-7-17(26-2)8-6-16/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,22,23)
InChIKeyQLUIPTNIHPMANP-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.77
Rot. Bonds8

About N-(furan-2-ylmethyl)-5-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine

N-(furan-2-ylmethyl)-5-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 42368289) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID42368289
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-(furan-2-ylmethyl)-5-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(CCn2ccc(-c3sc(NCc4ccco4)nc3C)n2)cc1
InChIInChI=1S/C21H22N4O2S/c1-15-20(28-21(23-15)22-14-18-4-3-13-27-18)19-10-12-25(24-19)11-9-16-5-7-17(26-2)8-6-16/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,22,23)
InChIKeyQLUIPTNIHPMANP-UHFFFAOYSA-N
XLogP4.77
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-5-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine (CID 42368289) is N-(furan-2-ylmethyl)-5-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-5-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine is COc1ccc(CCn2ccc(-c3sc(NCc4ccco4)nc3C)n2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is QLUIPTNIHPMANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-15-20(28-21(23-15)22-14-18-4-3-13-27-18)19-10-12-25(24-19)11-9-16-5-7-17(26-2)8-6-16/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,22,23).
What are the key properties of N-(furan-2-ylmethyl)-5-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
N-(furan-2-ylmethyl)-5-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 394.50 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 42368289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).