4-ethyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]thiadiazole-5-carboxamide

C12H20N4O2S — CID 94025961

IUPAC4-ethyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N[C@H](C)CN1CCOCC1
InChIInChI=1S/C12H20N4O2S/c1-3-10-11(19-15-14-10)12(17)13-9(2)8-16-4-6-18-7-5-16/h9H,3-8H2,1-2H3,(H,13,17)/t9-/m1/s1
InChIKeySCLMPOWDGSCYBR-SECBINFHSA-N
MW284.38 g/mol
LogP0.55
Rot. Bonds5

About 4-ethyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]thiadiazole-5-carboxamide

4-ethyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]thiadiazole-5-carboxamide (PubChem CID 94025961) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-ethyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]thiadiazole-5-carboxamide
PubChem CID94025961
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name4-ethyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N[C@H](C)CN1CCOCC1
InChIInChI=1S/C12H20N4O2S/c1-3-10-11(19-15-14-10)12(17)13-9(2)8-16-4-6-18-7-5-16/h9H,3-8H2,1-2H3,(H,13,17)/t9-/m1/s1
InChIKeySCLMPOWDGSCYBR-SECBINFHSA-N
XLogP0.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]thiadiazole-5-carboxamide (CID 94025961) is 4-ethyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)N[C@H](C)CN1CCOCC1.
What is the InChIKey of 4-ethyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]thiadiazole-5-carboxamide?
The InChIKey is SCLMPOWDGSCYBR-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-3-10-11(19-15-14-10)12(17)13-9(2)8-16-4-6-18-7-5-16/h9H,3-8H2,1-2H3,(H,13,17)/t9-/m1/s1.
What are the key properties of 4-ethyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]thiadiazole-5-carboxamide?
4-ethyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]thiadiazole-5-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 94025961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).