N-[5-(cyclohexylmethylamino)-1,3,4-thiadiazol-2-yl]-2,4-difluorobenzamide

C16H18F2N4OS — CID 510252

IUPACN-[5-(cyclohexylmethylamino)-1,3,4-thiadiazol-2-yl]-2,4-difluorobenzamide
SMILESO=C(Nc1nnc(NCC2CCCCC2)s1)c1ccc(F)cc1F
InChIInChI=1S/C16H18F2N4OS/c17-11-6-7-12(13(18)8-11)14(23)20-16-22-21-15(24-16)19-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,19,21)(H,20,22,23)
InChIKeySZDWYBKUVSPMQE-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.06
Rot. Bonds5

About N-[5-(cyclohexylmethylamino)-1,3,4-thiadiazol-2-yl]-2,4-difluorobenzamide

N-[5-(cyclohexylmethylamino)-1,3,4-thiadiazol-2-yl]-2,4-difluorobenzamide (PubChem CID 510252) has the molecular formula C16H18F2N4OS and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[5-(cyclohexylmethylamino)-1,3,4-thiadiazol-2-yl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethylamino)-1,3,4-thiadiazol-2-yl]-2,4-difluorobenzamide
PubChem CID510252
Molecular FormulaC16H18F2N4OS
Molecular Weight352.41 g/mol
Exact Mass352.12
IUPAC NameN-[5-(cyclohexylmethylamino)-1,3,4-thiadiazol-2-yl]-2,4-difluorobenzamide
SMILESO=C(Nc1nnc(NCC2CCCCC2)s1)c1ccc(F)cc1F
InChIInChI=1S/C16H18F2N4OS/c17-11-6-7-12(13(18)8-11)14(23)20-16-22-21-15(24-16)19-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,19,21)(H,20,22,23)
InChIKeySZDWYBKUVSPMQE-UHFFFAOYSA-N
XLogP4.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethylamino)-1,3,4-thiadiazol-2-yl]-2,4-difluorobenzamide?
The IUPAC name of N-[5-(cyclohexylmethylamino)-1,3,4-thiadiazol-2-yl]-2,4-difluorobenzamide (CID 510252) is N-[5-(cyclohexylmethylamino)-1,3,4-thiadiazol-2-yl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[5-(cyclohexylmethylamino)-1,3,4-thiadiazol-2-yl]-2,4-difluorobenzamide?
The canonical SMILES for N-[5-(cyclohexylmethylamino)-1,3,4-thiadiazol-2-yl]-2,4-difluorobenzamide is O=C(Nc1nnc(NCC2CCCCC2)s1)c1ccc(F)cc1F.
What is the InChIKey of N-[5-(cyclohexylmethylamino)-1,3,4-thiadiazol-2-yl]-2,4-difluorobenzamide?
The InChIKey is SZDWYBKUVSPMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4OS/c17-11-6-7-12(13(18)8-11)14(23)20-16-22-21-15(24-16)19-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,19,21)(H,20,22,23).
What are the key properties of N-[5-(cyclohexylmethylamino)-1,3,4-thiadiazol-2-yl]-2,4-difluorobenzamide?
N-[5-(cyclohexylmethylamino)-1,3,4-thiadiazol-2-yl]-2,4-difluorobenzamide has a molecular weight of 352.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethylamino)-1,3,4-thiadiazol-2-yl]-2,4-difluorobenzamide is sourced from PubChem (CID 510252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).