2-(furan-3-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

C16H16N4O2S2 — CID 120998447

IUPAC2-(furan-3-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ncc(C2CCNCC2)s1)c1csc(-c2ccoc2)n1
InChIInChI=1S/C16H16N4O2S2/c21-14(12-9-23-15(19-12)11-3-6-22-8-11)20-16-18-7-13(24-16)10-1-4-17-5-2-10/h3,6-10,17H,1-2,4-5H2,(H,18,20,21)
InChIKeyVHBCHGQRRYSHSK-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.58
Rot. Bonds4

About 2-(furan-3-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

2-(furan-3-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 120998447) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-3-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID120998447
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC Name2-(furan-3-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ncc(C2CCNCC2)s1)c1csc(-c2ccoc2)n1
InChIInChI=1S/C16H16N4O2S2/c21-14(12-9-23-15(19-12)11-3-6-22-8-11)20-16-18-7-13(24-16)10-1-4-17-5-2-10/h3,6-10,17H,1-2,4-5H2,(H,18,20,21)
InChIKeyVHBCHGQRRYSHSK-UHFFFAOYSA-N
XLogP3.58
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-3-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 120998447) is 2-(furan-3-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-3-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-3-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1ncc(C2CCNCC2)s1)c1csc(-c2ccoc2)n1.
What is the InChIKey of 2-(furan-3-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is VHBCHGQRRYSHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c21-14(12-9-23-15(19-12)11-3-6-22-8-11)20-16-18-7-13(24-16)10-1-4-17-5-2-10/h3,6-10,17H,1-2,4-5H2,(H,18,20,21).
What are the key properties of 2-(furan-3-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
2-(furan-3-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120998447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).