N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide

C17H25N5O2S — CID 74231643

IUPACN-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide
SMILESCC(c1ccc(C(=O)NC(C)(C)c2nnc(N)s2)o1)N1CCCCC1
InChIInChI=1S/C17H25N5O2S/c1-11(22-9-5-4-6-10-22)12-7-8-13(24-12)14(23)19-17(2,3)15-20-21-16(18)25-15/h7-8,11H,4-6,9-10H2,1-3H3,(H2,18,21)(H,19,23)
InChIKeyABGZAPYZQWBRIZ-UHFFFAOYSA-N
MW363.49 g/mol
LogP2.93
Rot. Bonds5

About N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide

N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide (PubChem CID 74231643) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide
PubChem CID74231643
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide
SMILESCC(c1ccc(C(=O)NC(C)(C)c2nnc(N)s2)o1)N1CCCCC1
InChIInChI=1S/C17H25N5O2S/c1-11(22-9-5-4-6-10-22)12-7-8-13(24-12)14(23)19-17(2,3)15-20-21-16(18)25-15/h7-8,11H,4-6,9-10H2,1-3H3,(H2,18,21)(H,19,23)
InChIKeyABGZAPYZQWBRIZ-UHFFFAOYSA-N
XLogP2.93
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide?
The IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide (CID 74231643) is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide is CC(c1ccc(C(=O)NC(C)(C)c2nnc(N)s2)o1)N1CCCCC1.
What is the InChIKey of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide?
The InChIKey is ABGZAPYZQWBRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-11(22-9-5-4-6-10-22)12-7-8-13(24-12)14(23)19-17(2,3)15-20-21-16(18)25-15/h7-8,11H,4-6,9-10H2,1-3H3,(H2,18,21)(H,19,23).
What are the key properties of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide?
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide has a molecular weight of 363.49 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 74231643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).