2-methyl-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide

C12H20N4O2S — CID 1398561

IUPAC2-methyl-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nnc(CCN2CCOCC2)s1
InChIInChI=1S/C12H20N4O2S/c1-9(2)11(17)13-12-15-14-10(19-12)3-4-16-5-7-18-8-6-16/h9H,3-8H2,1-2H3,(H,13,15,17)
InChIKeyGCDLNIVMNAXQAN-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.01
Rot. Bonds5

About 2-methyl-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide

2-methyl-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 1398561) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-methyl-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID1398561
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-methyl-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nnc(CCN2CCOCC2)s1
InChIInChI=1S/C12H20N4O2S/c1-9(2)11(17)13-12-15-14-10(19-12)3-4-16-5-7-18-8-6-16/h9H,3-8H2,1-2H3,(H,13,15,17)
InChIKeyGCDLNIVMNAXQAN-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 1399018
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CID 652903
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CID 665057
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CID 6602679
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CID 1796566
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CID 6466309
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CID 6470523
CID 6470523
CID 664017
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CID 3065355
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CID 340171
CID 340171

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 1398561) is 2-methyl-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide is CC(C)C(=O)Nc1nnc(CCN2CCOCC2)s1.
What is the InChIKey of 2-methyl-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is GCDLNIVMNAXQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-9(2)11(17)13-12-15-14-10(19-12)3-4-16-5-7-18-8-6-16/h9H,3-8H2,1-2H3,(H,13,15,17).
What are the key properties of 2-methyl-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide?
2-methyl-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 284.38 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 1398561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).