1-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-1-sulfanylurea

C9H15N5O2S2 — CID 87908668

IUPAC1-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-1-sulfanylurea
SMILESNC(=O)N(S)c1nnc(CCN2CCOCC2)s1
InChIInChI=1S/C9H15N5O2S2/c10-8(15)14(17)9-12-11-7(18-9)1-2-13-3-5-16-6-4-13/h17H,1-6H2,(H2,10,15)
InChIKeyDHHMXRKYWPBDFA-UHFFFAOYSA-N
MW289.39 g/mol
LogP0.14
Rot. Bonds4

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

1-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-1-sulfanylurea (PubChem CID 87908668) has the molecular formula C9H15N5O2S2 and a molecular weight of 289.39 g/mol. Its IUPAC name is 1-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-1-sulfanylurea.

Molecular Properties

Compound Name1-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-1-sulfanylurea
PubChem CID87908668
Molecular FormulaC9H15N5O2S2
Molecular Weight289.39 g/mol
Exact Mass289.07
IUPAC Name1-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-1-sulfanylurea
SMILESNC(=O)N(S)c1nnc(CCN2CCOCC2)s1
InChIInChI=1S/C9H15N5O2S2/c10-8(15)14(17)9-12-11-7(18-9)1-2-13-3-5-16-6-4-13/h17H,1-6H2,(H2,10,15)
InChIKeyDHHMXRKYWPBDFA-UHFFFAOYSA-N
XLogP0.14
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-1-sulfanylurea?
The IUPAC name of 1-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-1-sulfanylurea (CID 87908668) is 1-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-1-sulfanylurea.
What is the SMILES notation for 1-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-1-sulfanylurea?
The canonical SMILES for 1-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-1-sulfanylurea is NC(=O)N(S)c1nnc(CCN2CCOCC2)s1.
What is the InChIKey of 1-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-1-sulfanylurea?
The InChIKey is DHHMXRKYWPBDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2S2/c10-8(15)14(17)9-12-11-7(18-9)1-2-13-3-5-16-6-4-13/h17H,1-6H2,(H2,10,15).
What are the key properties of 1-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-1-sulfanylurea?
1-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-1-sulfanylurea has a molecular weight of 289.39 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-1-sulfanylurea is sourced from PubChem (CID 87908668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).