5-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

C11H19N5O2S — CID 80624606

IUPAC5-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCC2CN(C)CCO2)s1
InChIInChI=1S/C11H19N5O2S/c1-3-12-11-15-14-10(19-11)9(17)13-6-8-7-16(2)4-5-18-8/h8H,3-7H2,1-2H3,(H,12,15)(H,13,17)
InChIKeyJTOYIUAOYXRCNU-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.03
Rot. Bonds5

About 5-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

5-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80624606) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80624606
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name5-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCC2CN(C)CCO2)s1
InChIInChI=1S/C11H19N5O2S/c1-3-12-11-15-14-10(19-11)9(17)13-6-8-7-16(2)4-5-18-8/h8H,3-7H2,1-2H3,(H,12,15)(H,13,17)
InChIKeyJTOYIUAOYXRCNU-UHFFFAOYSA-N
XLogP0.03
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(ethylamino)-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618770
N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615896
5-(ethylamino)-N-(thiolan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 107298229
5-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide
CID 49094737
2-bromo-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 79082924
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094765
2-amino-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 79811490
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
N-(1,4-dioxan-2-ylmethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616205
6-chloro-N-[(4-methylmorpholin-2-yl)methyl]pyridazine-3-carboxamide
CID 79083051

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 80624606) is 5-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)NCC2CN(C)CCO2)s1.
What is the InChIKey of 5-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is JTOYIUAOYXRCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-3-12-11-15-14-10(19-11)9(17)13-6-8-7-16(2)4-5-18-8/h8H,3-7H2,1-2H3,(H,12,15)(H,13,17).
What are the key properties of 5-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80624606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).