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

C24H27N5O2S — CID 53123085

IUPACN-[(5-methylfuran-2-yl)methyl]-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)NCc5ccc(C)o5)C4)nc32)cc1
InChIInChI=1S/C24H27N5O2S/c1-15-6-9-19(10-7-15)29-22-21(17(3)27-29)32-24(26-22)28-12-4-5-18(14-28)23(30)25-13-20-11-8-16(2)31-20/h6-11,18H,4-5,12-14H2,1-3H3,(H,25,30)
InChIKeyZQQXXGKRVJPSAZ-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.53
Rot. Bonds5

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

N-[(5-methylfuran-2-yl)methyl]-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide (PubChem CID 53123085) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
PubChem CID53123085
Molecular FormulaC24H27N5O2S
Molecular Weight449.58 g/mol
Exact Mass449.19
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-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)NCc5ccc(C)o5)C4)nc32)cc1
InChIInChI=1S/C24H27N5O2S/c1-15-6-9-19(10-7-15)29-22-21(17(3)27-29)32-24(26-22)28-12-4-5-18(14-28)23(30)25-13-20-11-8-16(2)31-20/h6-11,18H,4-5,12-14H2,1-3H3,(H,25,30)
InChIKeyZQQXXGKRVJPSAZ-UHFFFAOYSA-N
XLogP4.53
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide (CID 53123085) is N-[(5-methylfuran-2-yl)methyl]-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-[(5-methylfuran-2-yl)methyl]-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-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)NCc5ccc(C)o5)C4)nc32)cc1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide?
The InChIKey is ZQQXXGKRVJPSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S/c1-15-6-9-19(10-7-15)29-22-21(17(3)27-29)32-24(26-22)28-12-4-5-18(14-28)23(30)25-13-20-11-8-16(2)31-20/h6-11,18H,4-5,12-14H2,1-3H3,(H,25,30).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide?
N-[(5-methylfuran-2-yl)methyl]-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide has a molecular weight of 449.58 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 53123085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).