1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-(1,3-thiazol-2-ylmethyl)urea

C11H15N5OS2 — CID 136526242

IUPAC1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-(1,3-thiazol-2-ylmethyl)urea
SMILESCC(C)(C)c1nsc(NC(=O)NCc2nccs2)n1
InChIInChI=1S/C11H15N5OS2/c1-11(2,3)8-14-10(19-16-8)15-9(17)13-6-7-12-4-5-18-7/h4-5H,6H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyRCIWEQWOXSAUHA-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.61
Rot. Bonds3

About 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-(1,3-thiazol-2-ylmethyl)urea

1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-(1,3-thiazol-2-ylmethyl)urea (PubChem CID 136526242) has the molecular formula C11H15N5OS2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-(1,3-thiazol-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-(1,3-thiazol-2-ylmethyl)urea
PubChem CID136526242
Molecular FormulaC11H15N5OS2
Molecular Weight297.41 g/mol
Exact Mass297.07
IUPAC Name1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-(1,3-thiazol-2-ylmethyl)urea
SMILESCC(C)(C)c1nsc(NC(=O)NCc2nccs2)n1
InChIInChI=1S/C11H15N5OS2/c1-11(2,3)8-14-10(19-16-8)15-9(17)13-6-7-12-4-5-18-7/h4-5H,6H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyRCIWEQWOXSAUHA-UHFFFAOYSA-N
XLogP2.61
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-(1,3-thiazol-2-ylmethyl)urea?
The IUPAC name of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-(1,3-thiazol-2-ylmethyl)urea (CID 136526242) is 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-(1,3-thiazol-2-ylmethyl)urea.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-(1,3-thiazol-2-ylmethyl)urea?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-(1,3-thiazol-2-ylmethyl)urea is CC(C)(C)c1nsc(NC(=O)NCc2nccs2)n1.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-(1,3-thiazol-2-ylmethyl)urea?
The InChIKey is RCIWEQWOXSAUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS2/c1-11(2,3)8-14-10(19-16-8)15-9(17)13-6-7-12-4-5-18-7/h4-5H,6H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-(1,3-thiazol-2-ylmethyl)urea?
1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-(1,3-thiazol-2-ylmethyl)urea has a molecular weight of 297.41 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-(1,3-thiazol-2-ylmethyl)urea is sourced from PubChem (CID 136526242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).