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

C9H12F2N4O2S — CID 47399577

IUPACN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1nnc(C(F)F)s1)N1CCCC(O)C1
InChIInChI=1S/C9H12F2N4O2S/c10-6(11)7-13-14-8(18-7)12-9(17)15-3-1-2-5(16)4-15/h5-6,16H,1-4H2,(H,12,14,17)
InChIKeyZCLDMUSRLKIGRS-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.46
Rot. Bonds2

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

N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-hydroxypiperidine-1-carboxamide (PubChem CID 47399577) has the molecular formula C9H12F2N4O2S and a molecular weight of 278.28 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-hydroxypiperidine-1-carboxamide
PubChem CID47399577
Molecular FormulaC9H12F2N4O2S
Molecular Weight278.28 g/mol
Exact Mass278.06
IUPAC NameN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1nnc(C(F)F)s1)N1CCCC(O)C1
InChIInChI=1S/C9H12F2N4O2S/c10-6(11)7-13-14-8(18-7)12-9(17)15-3-1-2-5(16)4-15/h5-6,16H,1-4H2,(H,12,14,17)
InChIKeyZCLDMUSRLKIGRS-UHFFFAOYSA-N
XLogP1.46
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-hydroxypiperidine-1-carboxamide (CID 47399577) is N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-hydroxypiperidine-1-carboxamide is O=C(Nc1nnc(C(F)F)s1)N1CCCC(O)C1.
What is the InChIKey of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-hydroxypiperidine-1-carboxamide?
The InChIKey is ZCLDMUSRLKIGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4O2S/c10-6(11)7-13-14-8(18-7)12-9(17)15-3-1-2-5(16)4-15/h5-6,16H,1-4H2,(H,12,14,17).
What are the key properties of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-hydroxypiperidine-1-carboxamide?
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-hydroxypiperidine-1-carboxamide has a molecular weight of 278.28 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 47399577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).