N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(2-methyl-1,3-thiazol-4-yl)-N-propylfuran-3-carboxamide

C23H29N5O2S — CID 75371675

IUPACN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(2-methyl-1,3-thiazol-4-yl)-N-propylfuran-3-carboxamide
SMILESCCCN(C(=O)c1coc(-c2csc(C)n2)c1)C1CCN(c2cc(C)nc(C)n2)CC1
InChIInChI=1S/C23H29N5O2S/c1-5-8-28(23(29)18-12-21(30-13-18)20-14-31-17(4)26-20)19-6-9-27(10-7-19)22-11-15(2)24-16(3)25-22/h11-14,19H,5-10H2,1-4H3
InChIKeyBLRLQKPTJQUGCA-UHFFFAOYSA-N
MW439.59 g/mol
LogP4.64
Rot. Bonds6

About N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(2-methyl-1,3-thiazol-4-yl)-N-propylfuran-3-carboxamide

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(2-methyl-1,3-thiazol-4-yl)-N-propylfuran-3-carboxamide (PubChem CID 75371675) has the molecular formula C23H29N5O2S and a molecular weight of 439.59 g/mol. Its IUPAC name is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(2-methyl-1,3-thiazol-4-yl)-N-propylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(2-methyl-1,3-thiazol-4-yl)-N-propylfuran-3-carboxamide
PubChem CID75371675
Molecular FormulaC23H29N5O2S
Molecular Weight439.59 g/mol
Exact Mass439.20
IUPAC NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(2-methyl-1,3-thiazol-4-yl)-N-propylfuran-3-carboxamide
SMILESCCCN(C(=O)c1coc(-c2csc(C)n2)c1)C1CCN(c2cc(C)nc(C)n2)CC1
InChIInChI=1S/C23H29N5O2S/c1-5-8-28(23(29)18-12-21(30-13-18)20-14-31-17(4)26-20)19-6-9-27(10-7-19)22-11-15(2)24-16(3)25-22/h11-14,19H,5-10H2,1-4H3
InChIKeyBLRLQKPTJQUGCA-UHFFFAOYSA-N
XLogP4.64
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.59
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(2-methyl-1,3-thiazol-4-yl)-N-propylfuran-3-carboxamide?
The IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(2-methyl-1,3-thiazol-4-yl)-N-propylfuran-3-carboxamide (CID 75371675) is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(2-methyl-1,3-thiazol-4-yl)-N-propylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(2-methyl-1,3-thiazol-4-yl)-N-propylfuran-3-carboxamide?
The canonical SMILES for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(2-methyl-1,3-thiazol-4-yl)-N-propylfuran-3-carboxamide is CCCN(C(=O)c1coc(-c2csc(C)n2)c1)C1CCN(c2cc(C)nc(C)n2)CC1.
What is the InChIKey of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(2-methyl-1,3-thiazol-4-yl)-N-propylfuran-3-carboxamide?
The InChIKey is BLRLQKPTJQUGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2S/c1-5-8-28(23(29)18-12-21(30-13-18)20-14-31-17(4)26-20)19-6-9-27(10-7-19)22-11-15(2)24-16(3)25-22/h11-14,19H,5-10H2,1-4H3.
What are the key properties of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(2-methyl-1,3-thiazol-4-yl)-N-propylfuran-3-carboxamide?
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(2-methyl-1,3-thiazol-4-yl)-N-propylfuran-3-carboxamide has a molecular weight of 439.59 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(2-methyl-1,3-thiazol-4-yl)-N-propylfuran-3-carboxamide is sourced from PubChem (CID 75371675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).