4-ethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiadiazole-5-carboxamide

C14H24N4O2S — CID 43045340

IUPAC4-ethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC1CN(CC(C)C)CCO1
InChIInChI=1S/C14H24N4O2S/c1-4-12-13(21-17-16-12)14(19)15-7-11-9-18(5-6-20-11)8-10(2)3/h10-11H,4-9H2,1-3H3,(H,15,19)
InChIKeyMJERHOLRVDKHPX-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.19
Rot. Bonds6

About 4-ethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiadiazole-5-carboxamide

4-ethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiadiazole-5-carboxamide (PubChem CID 43045340) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-ethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiadiazole-5-carboxamide
PubChem CID43045340
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name4-ethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC1CN(CC(C)C)CCO1
InChIInChI=1S/C14H24N4O2S/c1-4-12-13(21-17-16-12)14(19)15-7-11-9-18(5-6-20-11)8-10(2)3/h10-11H,4-9H2,1-3H3,(H,15,19)
InChIKeyMJERHOLRVDKHPX-UHFFFAOYSA-N
XLogP1.19
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiadiazole-5-carboxamide (CID 43045340) is 4-ethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCC1CN(CC(C)C)CCO1.
What is the InChIKey of 4-ethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiadiazole-5-carboxamide?
The InChIKey is MJERHOLRVDKHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-4-12-13(21-17-16-12)14(19)15-7-11-9-18(5-6-20-11)8-10(2)3/h10-11H,4-9H2,1-3H3,(H,15,19).
What are the key properties of 4-ethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiadiazole-5-carboxamide?
4-ethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiadiazole-5-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 43045340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).