(2R,3S)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide

C12H20N4O2S — CID 120917902

IUPAC(2R,3S)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)[C@H]2NCCO[C@@H]2C)s1
InChIInChI=1S/C12H20N4O2S/c1-7(2)6-9-15-16-12(19-9)14-11(17)10-8(3)18-5-4-13-10/h7-8,10,13H,4-6H2,1-3H3,(H,14,16,17)/t8-,10+/m1/s1
InChIKeyMHIYLPUEFUDPCL-SCZZXKLOSA-N
MW284.38 g/mol
LogP1.05
Rot. Bonds4

About (2R,3S)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide (PubChem CID 120917902) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide
PubChem CID120917902
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name(2R,3S)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)[C@H]2NCCO[C@@H]2C)s1
InChIInChI=1S/C12H20N4O2S/c1-7(2)6-9-15-16-12(19-9)14-11(17)10-8(3)18-5-4-13-10/h7-8,10,13H,4-6H2,1-3H3,(H,14,16,17)/t8-,10+/m1/s1
InChIKeyMHIYLPUEFUDPCL-SCZZXKLOSA-N
XLogP1.05
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylmorpholine-3-carboxamide
CID 120935514
(2R,3S)-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide;hydrochloride
CID 120921499
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 110461380
(2S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 7318372
ethyl 2-[[5-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 120917983
2,2-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 138992387
(2R,3S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120936021
(2R,3S)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)morpholine-3-carboxamide
CID 120923900
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 825378
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
CID 3389877
2-(azetidin-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 114165511

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide (CID 120917902) is (2R,3S)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide is CC(C)Cc1nnc(NC(=O)[C@H]2NCCO[C@@H]2C)s1.
What is the InChIKey of (2R,3S)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide?
The InChIKey is MHIYLPUEFUDPCL-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-7(2)6-9-15-16-12(19-9)14-11(17)10-8(3)18-5-4-13-10/h7-8,10,13H,4-6H2,1-3H3,(H,14,16,17)/t8-,10+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide is sourced from PubChem (CID 120917902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).