1-[(2S)-1-hydroxypropan-2-yl]-3-(thiadiazol-5-yl)urea

C6H10N4O2S — CID 130701572

IUPAC1-[(2S)-1-hydroxypropan-2-yl]-3-(thiadiazol-5-yl)urea
SMILESC[C@@H](CO)NC(=O)Nc1cnns1
InChIInChI=1S/C6H10N4O2S/c1-4(3-11)8-6(12)9-5-2-7-10-13-5/h2,4,11H,3H2,1H3,(H2,8,9,12)/t4-/m0/s1
InChIKeyAMVLHFHXLKOKIU-BYPYZUCNSA-N
MW202.24 g/mol
LogP0.04
Rot. Bonds3

About 1-[(2S)-1-hydroxypropan-2-yl]-3-(thiadiazol-5-yl)urea

1-[(2S)-1-hydroxypropan-2-yl]-3-(thiadiazol-5-yl)urea (PubChem CID 130701572) has the molecular formula C6H10N4O2S and a molecular weight of 202.24 g/mol. Its IUPAC name is 1-[(2S)-1-hydroxypropan-2-yl]-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-[(2S)-1-hydroxypropan-2-yl]-3-(thiadiazol-5-yl)urea
PubChem CID130701572
Molecular FormulaC6H10N4O2S
Molecular Weight202.24 g/mol
Exact Mass202.05
IUPAC Name1-[(2S)-1-hydroxypropan-2-yl]-3-(thiadiazol-5-yl)urea
SMILESC[C@@H](CO)NC(=O)Nc1cnns1
InChIInChI=1S/C6H10N4O2S/c1-4(3-11)8-6(12)9-5-2-7-10-13-5/h2,4,11H,3H2,1H3,(H2,8,9,12)/t4-/m0/s1
InChIKeyAMVLHFHXLKOKIU-BYPYZUCNSA-N
XLogP0.04
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-hydroxypropan-2-yl]-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1-[(2S)-1-hydroxypropan-2-yl]-3-(thiadiazol-5-yl)urea (CID 130701572) is 1-[(2S)-1-hydroxypropan-2-yl]-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1-[(2S)-1-hydroxypropan-2-yl]-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1-[(2S)-1-hydroxypropan-2-yl]-3-(thiadiazol-5-yl)urea is C[C@@H](CO)NC(=O)Nc1cnns1.
What is the InChIKey of 1-[(2S)-1-hydroxypropan-2-yl]-3-(thiadiazol-5-yl)urea?
The InChIKey is AMVLHFHXLKOKIU-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10N4O2S/c1-4(3-11)8-6(12)9-5-2-7-10-13-5/h2,4,11H,3H2,1H3,(H2,8,9,12)/t4-/m0/s1.
What are the key properties of 1-[(2S)-1-hydroxypropan-2-yl]-3-(thiadiazol-5-yl)urea?
1-[(2S)-1-hydroxypropan-2-yl]-3-(thiadiazol-5-yl)urea has a molecular weight of 202.24 g/mol, XLogP of 0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-hydroxypropan-2-yl]-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 130701572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).