1-propan-2-yl-3-(thiadiazol-5-yl)urea

C6H10N4OS — CID 103279682

IUPAC1-propan-2-yl-3-(thiadiazol-5-yl)urea
SMILESCC(C)NC(=O)Nc1cnns1
InChIInChI=1S/C6H10N4OS/c1-4(2)8-6(11)9-5-3-7-10-12-5/h3-4H,1-2H3,(H2,8,9,11)
InChIKeyMLXLNNPTJQONAQ-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.07
Rot. Bonds2

About 1-propan-2-yl-3-(thiadiazol-5-yl)urea

1-propan-2-yl-3-(thiadiazol-5-yl)urea (PubChem CID 103279682) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is 1-propan-2-yl-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-propan-2-yl-3-(thiadiazol-5-yl)urea
PubChem CID103279682
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name1-propan-2-yl-3-(thiadiazol-5-yl)urea
SMILESCC(C)NC(=O)Nc1cnns1
InChIInChI=1S/C6H10N4OS/c1-4(2)8-6(11)9-5-3-7-10-12-5/h3-4H,1-2H3,(H2,8,9,11)
InChIKeyMLXLNNPTJQONAQ-UHFFFAOYSA-N
XLogP1.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1-propan-2-yl-3-(thiadiazol-5-yl)urea (CID 103279682) is 1-propan-2-yl-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1-propan-2-yl-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1-propan-2-yl-3-(thiadiazol-5-yl)urea is CC(C)NC(=O)Nc1cnns1.
What is the InChIKey of 1-propan-2-yl-3-(thiadiazol-5-yl)urea?
The InChIKey is MLXLNNPTJQONAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-4(2)8-6(11)9-5-3-7-10-12-5/h3-4H,1-2H3,(H2,8,9,11).
What are the key properties of 1-propan-2-yl-3-(thiadiazol-5-yl)urea?
1-propan-2-yl-3-(thiadiazol-5-yl)urea has a molecular weight of 186.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 103279682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).