1-(1,3,4-thiadiazol-2-yl)-3-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea

C10H10F3N5OS2 — CID 95904298

IUPAC1-(1,3,4-thiadiazol-2-yl)-3-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea
SMILESCC[C@H](NC(=O)Nc1nncs1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C10H10F3N5OS2/c1-2-5(7-16-6(3-20-7)10(11,12)13)15-8(19)17-9-18-14-4-21-9/h3-5H,2H2,1H3,(H2,15,17,18,19)/t5-/m0/s1
InChIKeyYDEZMMYLIATFOJ-YFKPBYRVSA-N
MW337.35 g/mol
LogP3.29
Rot. Bonds4

About 1-(1,3,4-thiadiazol-2-yl)-3-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea

1-(1,3,4-thiadiazol-2-yl)-3-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea (PubChem CID 95904298) has the molecular formula C10H10F3N5OS2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 1-(1,3,4-thiadiazol-2-yl)-3-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea.

Molecular Properties

Compound Name1-(1,3,4-thiadiazol-2-yl)-3-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea
PubChem CID95904298
Molecular FormulaC10H10F3N5OS2
Molecular Weight337.35 g/mol
Exact Mass337.03
IUPAC Name1-(1,3,4-thiadiazol-2-yl)-3-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea
SMILESCC[C@H](NC(=O)Nc1nncs1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C10H10F3N5OS2/c1-2-5(7-16-6(3-20-7)10(11,12)13)15-8(19)17-9-18-14-4-21-9/h3-5H,2H2,1H3,(H2,15,17,18,19)/t5-/m0/s1
InChIKeyYDEZMMYLIATFOJ-YFKPBYRVSA-N
XLogP3.29
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3,4-thiadiazol-2-yl)-3-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea?
The IUPAC name of 1-(1,3,4-thiadiazol-2-yl)-3-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea (CID 95904298) is 1-(1,3,4-thiadiazol-2-yl)-3-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea.
What is the SMILES notation for 1-(1,3,4-thiadiazol-2-yl)-3-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea?
The canonical SMILES for 1-(1,3,4-thiadiazol-2-yl)-3-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea is CC[C@H](NC(=O)Nc1nncs1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 1-(1,3,4-thiadiazol-2-yl)-3-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea?
The InChIKey is YDEZMMYLIATFOJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H10F3N5OS2/c1-2-5(7-16-6(3-20-7)10(11,12)13)15-8(19)17-9-18-14-4-21-9/h3-5H,2H2,1H3,(H2,15,17,18,19)/t5-/m0/s1.
What are the key properties of 1-(1,3,4-thiadiazol-2-yl)-3-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea?
1-(1,3,4-thiadiazol-2-yl)-3-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea has a molecular weight of 337.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,4-thiadiazol-2-yl)-3-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea is sourced from PubChem (CID 95904298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).