5-(morpholin-4-ylmethyl)-1,3,4-thiadiazol-2-amine

C7H12N4OS — CID 22397179

IUPAC5-(morpholin-4-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CN2CCOCC2)s1
InChIInChI=1S/C7H12N4OS/c8-7-10-9-6(13-7)5-11-1-3-12-4-2-11/h1-5H2,(H2,8,10)
InChIKeyPCBXCASBDQTPLA-UHFFFAOYSA-N
MW200.27 g/mol
LogP-0.05
Rot. Bonds2

About 5-(morpholin-4-ylmethyl)-1,3,4-thiadiazol-2-amine

5-(morpholin-4-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 22397179) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 5-(morpholin-4-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(morpholin-4-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID22397179
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name5-(morpholin-4-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CN2CCOCC2)s1
InChIInChI=1S/C7H12N4OS/c8-7-10-9-6(13-7)5-11-1-3-12-4-2-11/h1-5H2,(H2,8,10)
InChIKeyPCBXCASBDQTPLA-UHFFFAOYSA-N
XLogP-0.05
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(morpholin-4-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(morpholin-4-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 22397179) is 5-(morpholin-4-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(morpholin-4-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(morpholin-4-ylmethyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(CN2CCOCC2)s1.
What is the InChIKey of 5-(morpholin-4-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is PCBXCASBDQTPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c8-7-10-9-6(13-7)5-11-1-3-12-4-2-11/h1-5H2,(H2,8,10).
What are the key properties of 5-(morpholin-4-ylmethyl)-1,3,4-thiadiazol-2-amine?
5-(morpholin-4-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 200.27 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-4-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 22397179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).