N-ethyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine

C11H15N5OS2 — CID 82514870

IUPACN-ethyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2csc(N3CCOCC3)n2)s1
InChIInChI=1S/C11H15N5OS2/c1-2-12-10-15-14-9(19-10)8-7-18-11(13-8)16-3-5-17-6-4-16/h7H,2-6H2,1H3,(H,12,15)
InChIKeyCAGIZZFSGYJASM-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.93
Rot. Bonds4

About N-ethyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine

N-ethyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 82514870) has the molecular formula C11H15N5OS2 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-ethyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine
PubChem CID82514870
Molecular FormulaC11H15N5OS2
Molecular Weight297.41 g/mol
Exact Mass297.07
IUPAC NameN-ethyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2csc(N3CCOCC3)n2)s1
InChIInChI=1S/C11H15N5OS2/c1-2-12-10-15-14-9(19-10)8-7-18-11(13-8)16-3-5-17-6-4-16/h7H,2-6H2,1H3,(H,12,15)
InChIKeyCAGIZZFSGYJASM-UHFFFAOYSA-N
XLogP1.93
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine (CID 82514870) is N-ethyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine is CCNc1nnc(-c2csc(N3CCOCC3)n2)s1.
What is the InChIKey of N-ethyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is CAGIZZFSGYJASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS2/c1-2-12-10-15-14-9(19-10)8-7-18-11(13-8)16-3-5-17-6-4-16/h7H,2-6H2,1H3,(H,12,15).
What are the key properties of N-ethyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine?
N-ethyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 297.41 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82514870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).