N-[5-(2,6-dimethylmorpholin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide

C15H18N4O2S — CID 3655447

IUPACN-[5-(2,6-dimethylmorpholin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCC1CN(c2nnc(NC(=O)c3ccccc3)s2)CC(C)O1
InChIInChI=1S/C15H18N4O2S/c1-10-8-19(9-11(2)21-10)15-18-17-14(22-15)16-13(20)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,17,20)
InChIKeyPRROOBQCFPNXIZ-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.40
Rot. Bonds3

About N-[5-(2,6-dimethylmorpholin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide

N-[5-(2,6-dimethylmorpholin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 3655447) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[5-(2,6-dimethylmorpholin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(2,6-dimethylmorpholin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID3655447
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-[5-(2,6-dimethylmorpholin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCC1CN(c2nnc(NC(=O)c3ccccc3)s2)CC(C)O1
InChIInChI=1S/C15H18N4O2S/c1-10-8-19(9-11(2)21-10)15-18-17-14(22-15)16-13(20)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,17,20)
InChIKeyPRROOBQCFPNXIZ-UHFFFAOYSA-N
XLogP2.40
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,6-dimethylmorpholin-4-yl)carbonothioyl]benzamide
CID 2908732
N-[5-(2-Morpholin-4-yl-ethyl)-[1,3,4]thiadiazol-2-yl]-benzamide
CID 1397993
4-Fluoro-N-[5-(morpholine-4-sulfonyl)-1,3,4-thiadiazol-2-YL]benzamide
CID 16017585
4-Methyl-N-[5-(morpholine-4-sulfonyl)-1,3,4-thiadiazol-2-YL]benzamide
CID 16017587
3-Methyl-N-[5-(morpholine-4-sulfonyl)-1,3,4-thiadiazol-2-YL]benzamide
CID 16017593
2-Fluoro-N-[5-(morpholine-4-sulfonyl)-1,3,4-thiadiazol-2-YL]benzamide
CID 16017595
3-Fluoro-N-[5-(morpholine-4-sulfonyl)-1,3,4-thiadiazol-2-YL]benzamide
CID 16017617
N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-4-(morpholinosulfonyl)benzamide
CID 16825040
N-[5-[[2-keto-2-(tetrahydrofurfurylamino)ethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide
CID 18561277
N-[5-(Morpholine-4-sulfonyl)-1,3,4-thiadiazol-2-YL]-4-(propan-2-YL)benzamide
CID 22517550
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 4269118
2-[4-[4-[(5-Morpholin-4-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclohexyl]acetic acid
CID 46852111

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-dimethylmorpholin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of N-[5-(2,6-dimethylmorpholin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide (CID 3655447) is N-[5-(2,6-dimethylmorpholin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(2,6-dimethylmorpholin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for N-[5-(2,6-dimethylmorpholin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide is CC1CN(c2nnc(NC(=O)c3ccccc3)s2)CC(C)O1.
What is the InChIKey of N-[5-(2,6-dimethylmorpholin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is PRROOBQCFPNXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10-8-19(9-11(2)21-10)15-18-17-14(22-15)16-13(20)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,17,20).
What are the key properties of N-[5-(2,6-dimethylmorpholin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide?
N-[5-(2,6-dimethylmorpholin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 318.40 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-dimethylmorpholin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 3655447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).