N-(furan-2-ylmethyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide

C23H25N5O2S — CID 53123062

IUPACN-(furan-2-ylmethyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
SMILESCc1ccc(-n2nc(C)c3sc(N4CCCC(C(=O)NCc5ccco5)C4)nc32)cc1
InChIInChI=1S/C23H25N5O2S/c1-15-7-9-18(10-8-15)28-21-20(16(2)26-28)31-23(25-21)27-11-3-5-17(14-27)22(29)24-13-19-6-4-12-30-19/h4,6-10,12,17H,3,5,11,13-14H2,1-2H3,(H,24,29)
InChIKeyHTRGQNDLKONUAE-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.22
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide

N-(furan-2-ylmethyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide (PubChem CID 53123062) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
PubChem CID53123062
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC NameN-(furan-2-ylmethyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
SMILESCc1ccc(-n2nc(C)c3sc(N4CCCC(C(=O)NCc5ccco5)C4)nc32)cc1
InChIInChI=1S/C23H25N5O2S/c1-15-7-9-18(10-8-15)28-21-20(16(2)26-28)31-23(25-21)27-11-3-5-17(14-27)22(29)24-13-19-6-4-12-30-19/h4,6-10,12,17H,3,5,11,13-14H2,1-2H3,(H,24,29)
InChIKeyHTRGQNDLKONUAE-UHFFFAOYSA-N
XLogP4.22
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.22
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)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide (CID 53123062) is N-(furan-2-ylmethyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide is Cc1ccc(-n2nc(C)c3sc(N4CCCC(C(=O)NCc5ccco5)C4)nc32)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide?
The InChIKey is HTRGQNDLKONUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-15-7-9-18(10-8-15)28-21-20(16(2)26-28)31-23(25-21)27-11-3-5-17(14-27)22(29)24-13-19-6-4-12-30-19/h4,6-10,12,17H,3,5,11,13-14H2,1-2H3,(H,24,29).
What are the key properties of N-(furan-2-ylmethyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide?
N-(furan-2-ylmethyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 53123062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).