2-cyclopropyl-6-methyl-N-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide

C16H24N4O3S — CID 128635594

IUPAC2-cyclopropyl-6-methyl-N-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2nnc(C3CCOCC3)s2)CC(C2CC2)O1
InChIInChI=1S/C16H24N4O3S/c1-10-8-20(9-13(23-10)11-2-3-11)16(21)17-15-19-18-14(24-15)12-4-6-22-7-5-12/h10-13H,2-9H2,1H3,(H,17,19,21)
InChIKeyNJMQQZGGZQDXOP-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.46
Rot. Bonds3

About 2-cyclopropyl-6-methyl-N-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide

2-cyclopropyl-6-methyl-N-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide (PubChem CID 128635594) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-cyclopropyl-6-methyl-N-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-methyl-N-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
PubChem CID128635594
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name2-cyclopropyl-6-methyl-N-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2nnc(C3CCOCC3)s2)CC(C2CC2)O1
InChIInChI=1S/C16H24N4O3S/c1-10-8-20(9-13(23-10)11-2-3-11)16(21)17-15-19-18-14(24-15)12-4-6-22-7-5-12/h10-13H,2-9H2,1H3,(H,17,19,21)
InChIKeyNJMQQZGGZQDXOP-UHFFFAOYSA-N
XLogP2.46
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3aR,4R,7S,7aS)-N-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide
CID 167841643
1-(2-methylcyclohexyl)-3-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]urea
CID 128635933
(2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide
CID 52502776
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[4-(oxan-4-yl)phenyl]urea
CID 166306171
cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 841900
5-hydroxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 128912509
(3R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 52508589
(3S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-(1-methylpyrazole-4-carbonyl)piperazine-1-carboxamide
CID 166236076
(2S,6S)-2-cyclopropyl-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-6-methylmorpholine-4-carboxamide
CID 124740629
(2R,6R)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97074965
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)but-2-enamide
CID 4799650
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 42936586

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methyl-N-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-6-methyl-N-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide (CID 128635594) is 2-cyclopropyl-6-methyl-N-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-methyl-N-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-methyl-N-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide is CC1CN(C(=O)Nc2nnc(C3CCOCC3)s2)CC(C2CC2)O1.
What is the InChIKey of 2-cyclopropyl-6-methyl-N-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide?
The InChIKey is NJMQQZGGZQDXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-10-8-20(9-13(23-10)11-2-3-11)16(21)17-15-19-18-14(24-15)12-4-6-22-7-5-12/h10-13H,2-9H2,1H3,(H,17,19,21).
What are the key properties of 2-cyclopropyl-6-methyl-N-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide?
2-cyclopropyl-6-methyl-N-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methyl-N-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 128635594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).