1-[[(2S)-1,4-dithian-2-yl]methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea

C10H15N3O2S2 — CID 95975313

IUPAC1-[[(2S)-1,4-dithian-2-yl]methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
SMILESCc1cc(NC(=O)NC[C@H]2CSCCS2)on1
InChIInChI=1S/C10H15N3O2S2/c1-7-4-9(15-13-7)12-10(14)11-5-8-6-16-2-3-17-8/h4,8H,2-3,5-6H2,1H3,(H2,11,12,14)/t8-/m0/s1
InChIKeyUWBQDZPNRLBBJM-QMMMGPOBSA-N
MW273.38 g/mol
LogP1.95
Rot. Bonds3

About 1-[[(2S)-1,4-dithian-2-yl]methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea

1-[[(2S)-1,4-dithian-2-yl]methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea (PubChem CID 95975313) has the molecular formula C10H15N3O2S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[[(2S)-1,4-dithian-2-yl]methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-[[(2S)-1,4-dithian-2-yl]methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
PubChem CID95975313
Molecular FormulaC10H15N3O2S2
Molecular Weight273.38 g/mol
Exact Mass273.06
IUPAC Name1-[[(2S)-1,4-dithian-2-yl]methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
SMILESCc1cc(NC(=O)NC[C@H]2CSCCS2)on1
InChIInChI=1S/C10H15N3O2S2/c1-7-4-9(15-13-7)12-10(14)11-5-8-6-16-2-3-17-8/h4,8H,2-3,5-6H2,1H3,(H2,11,12,14)/t8-/m0/s1
InChIKeyUWBQDZPNRLBBJM-QMMMGPOBSA-N
XLogP1.95
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-1,4-dithian-2-yl]methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
The IUPAC name of 1-[[(2S)-1,4-dithian-2-yl]methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea (CID 95975313) is 1-[[(2S)-1,4-dithian-2-yl]methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-[[(2S)-1,4-dithian-2-yl]methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-[[(2S)-1,4-dithian-2-yl]methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea is Cc1cc(NC(=O)NC[C@H]2CSCCS2)on1.
What is the InChIKey of 1-[[(2S)-1,4-dithian-2-yl]methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
The InChIKey is UWBQDZPNRLBBJM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O2S2/c1-7-4-9(15-13-7)12-10(14)11-5-8-6-16-2-3-17-8/h4,8H,2-3,5-6H2,1H3,(H2,11,12,14)/t8-/m0/s1.
What are the key properties of 1-[[(2S)-1,4-dithian-2-yl]methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
1-[[(2S)-1,4-dithian-2-yl]methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea has a molecular weight of 273.38 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-1,4-dithian-2-yl]methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea is sourced from PubChem (CID 95975313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).