2-methyl-N-[1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]furan-3-carboxamide

C18H25N3O2S — CID 75514927

IUPAC2-methyl-N-[1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)NC1CCN(Cc2cnc(C(C)C)s2)CC1
InChIInChI=1S/C18H25N3O2S/c1-12(2)18-19-10-15(24-18)11-21-7-4-14(5-8-21)20-17(22)16-6-9-23-13(16)3/h6,9-10,12,14H,4-5,7-8,11H2,1-3H3,(H,20,22)
InChIKeyNZRDZKWRJFZHNP-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.56
Rot. Bonds5

About 2-methyl-N-[1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]furan-3-carboxamide

2-methyl-N-[1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]furan-3-carboxamide (PubChem CID 75514927) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-methyl-N-[1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]furan-3-carboxamide
PubChem CID75514927
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name2-methyl-N-[1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)NC1CCN(Cc2cnc(C(C)C)s2)CC1
InChIInChI=1S/C18H25N3O2S/c1-12(2)18-19-10-15(24-18)11-21-7-4-14(5-8-21)20-17(22)16-6-9-23-13(16)3/h6,9-10,12,14H,4-5,7-8,11H2,1-3H3,(H,20,22)
InChIKeyNZRDZKWRJFZHNP-UHFFFAOYSA-N
XLogP3.56
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]furan-3-carboxamide (CID 75514927) is 2-methyl-N-[1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]furan-3-carboxamide is Cc1occc1C(=O)NC1CCN(Cc2cnc(C(C)C)s2)CC1.
What is the InChIKey of 2-methyl-N-[1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]furan-3-carboxamide?
The InChIKey is NZRDZKWRJFZHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-12(2)18-19-10-15(24-18)11-21-7-4-14(5-8-21)20-17(22)16-6-9-23-13(16)3/h6,9-10,12,14H,4-5,7-8,11H2,1-3H3,(H,20,22).
What are the key properties of 2-methyl-N-[1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]furan-3-carboxamide?
2-methyl-N-[1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]furan-3-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]furan-3-carboxamide is sourced from PubChem (CID 75514927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).