4-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine

C20H27N5OS — CID 126463707

IUPAC4-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1ccc(CNc2nc(C)c(-c3ccn(CC4CCCN(C)C4)n3)s2)o1
InChIInChI=1S/C20H27N5OS/c1-14-6-7-17(26-14)11-21-20-22-15(2)19(27-20)18-8-10-25(23-18)13-16-5-4-9-24(3)12-16/h6-8,10,16H,4-5,9,11-13H2,1-3H3,(H,21,22)
InChIKeyQKXYGSDOSZDVAG-UHFFFAOYSA-N
MW385.54 g/mol
LogP4.17
Rot. Bonds6

About 4-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine

4-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 126463707) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is 4-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine
PubChem CID126463707
Molecular FormulaC20H27N5OS
Molecular Weight385.54 g/mol
Exact Mass385.19
IUPAC Name4-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1ccc(CNc2nc(C)c(-c3ccn(CC4CCCN(C)C4)n3)s2)o1
InChIInChI=1S/C20H27N5OS/c1-14-6-7-17(26-14)11-21-20-22-15(2)19(27-20)18-8-10-25(23-18)13-16-5-4-9-24(3)12-16/h6-8,10,16H,4-5,9,11-13H2,1-3H3,(H,21,22)
InChIKeyQKXYGSDOSZDVAG-UHFFFAOYSA-N
XLogP4.17
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine (CID 126463707) is 4-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine is Cc1ccc(CNc2nc(C)c(-c3ccn(CC4CCCN(C)C4)n3)s2)o1.
What is the InChIKey of 4-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is QKXYGSDOSZDVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5OS/c1-14-6-7-17(26-14)11-21-20-22-15(2)19(27-20)18-8-10-25(23-18)13-16-5-4-9-24(3)12-16/h6-8,10,16H,4-5,9,11-13H2,1-3H3,(H,21,22).
What are the key properties of 4-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine?
4-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 385.54 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 126463707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).