N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine-4-carboxamide

C13H14F2N4O3S — CID 86799661

IUPACN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine-4-carboxamide
SMILESCc1ccc(C2COCCN2C(=O)Nc2nnc(C(F)F)s2)o1
InChIInChI=1S/C13H14F2N4O3S/c1-7-2-3-9(22-7)8-6-21-5-4-19(8)13(20)16-12-18-17-11(23-12)10(14)15/h2-3,8,10H,4-6H2,1H3,(H,16,18,20)
InChIKeyZJWYRXMQLNQVSZ-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.98
Rot. Bonds3

About N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine-4-carboxamide

N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine-4-carboxamide (PubChem CID 86799661) has the molecular formula C13H14F2N4O3S and a molecular weight of 344.34 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine-4-carboxamide
PubChem CID86799661
Molecular FormulaC13H14F2N4O3S
Molecular Weight344.34 g/mol
Exact Mass344.08
IUPAC NameN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine-4-carboxamide
SMILESCc1ccc(C2COCCN2C(=O)Nc2nnc(C(F)F)s2)o1
InChIInChI=1S/C13H14F2N4O3S/c1-7-2-3-9(22-7)8-6-21-5-4-19(8)13(20)16-12-18-17-11(23-12)10(14)15/h2-3,8,10H,4-6H2,1H3,(H,16,18,20)
InChIKeyZJWYRXMQLNQVSZ-UHFFFAOYSA-N
XLogP2.98
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine-4-carboxamide?
The IUPAC name of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine-4-carboxamide (CID 86799661) is N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine-4-carboxamide?
The canonical SMILES for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine-4-carboxamide is Cc1ccc(C2COCCN2C(=O)Nc2nnc(C(F)F)s2)o1.
What is the InChIKey of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine-4-carboxamide?
The InChIKey is ZJWYRXMQLNQVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O3S/c1-7-2-3-9(22-7)8-6-21-5-4-19(8)13(20)16-12-18-17-11(23-12)10(14)15/h2-3,8,10H,4-6H2,1H3,(H,16,18,20).
What are the key properties of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine-4-carboxamide?
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine-4-carboxamide has a molecular weight of 344.34 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 86799661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).