1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,2,5-thiadiazol-3-ylmethyl)urea

C9H10N6OS2 — CID 166310944

IUPAC1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,2,5-thiadiazol-3-ylmethyl)urea
SMILESO=C(NCc1cnsn1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C9H10N6OS2/c16-8(10-3-6-4-11-18-15-6)12-9-14-13-7(17-9)5-1-2-5/h4-5H,1-3H2,(H2,10,12,14,16)
InChIKeyXLHZNHYWSNAEAF-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.59
Rot. Bonds4

About 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,2,5-thiadiazol-3-ylmethyl)urea

1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,2,5-thiadiazol-3-ylmethyl)urea (PubChem CID 166310944) has the molecular formula C9H10N6OS2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,2,5-thiadiazol-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,2,5-thiadiazol-3-ylmethyl)urea
PubChem CID166310944
Molecular FormulaC9H10N6OS2
Molecular Weight282.35 g/mol
Exact Mass282.04
IUPAC Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,2,5-thiadiazol-3-ylmethyl)urea
SMILESO=C(NCc1cnsn1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C9H10N6OS2/c16-8(10-3-6-4-11-18-15-6)12-9-14-13-7(17-9)5-1-2-5/h4-5H,1-3H2,(H2,10,12,14,16)
InChIKeyXLHZNHYWSNAEAF-UHFFFAOYSA-N
XLogP1.59
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
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CID 47196431
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CID 95782860
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CID 47038251
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CID 130694011
N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide
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CID 52593631
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]urea
CID 51080161
1-[2-(4-cyanophenoxy)ethyl]-3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)urea
CID 167923716
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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,2,5-thiadiazol-3-ylmethyl)urea?
The IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,2,5-thiadiazol-3-ylmethyl)urea (CID 166310944) is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,2,5-thiadiazol-3-ylmethyl)urea.
What is the SMILES notation for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,2,5-thiadiazol-3-ylmethyl)urea?
The canonical SMILES for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,2,5-thiadiazol-3-ylmethyl)urea is O=C(NCc1cnsn1)Nc1nnc(C2CC2)s1.
What is the InChIKey of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,2,5-thiadiazol-3-ylmethyl)urea?
The InChIKey is XLHZNHYWSNAEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6OS2/c16-8(10-3-6-4-11-18-15-6)12-9-14-13-7(17-9)5-1-2-5/h4-5H,1-3H2,(H2,10,12,14,16).
What are the key properties of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,2,5-thiadiazol-3-ylmethyl)urea?
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,2,5-thiadiazol-3-ylmethyl)urea has a molecular weight of 282.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,2,5-thiadiazol-3-ylmethyl)urea is sourced from PubChem (CID 166310944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).