1-(1-pyrazol-1-ylpropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea

C9H12N6OS — CID 47191680

IUPAC1-(1-pyrazol-1-ylpropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCC(Cn1cccn1)NC(=O)Nc1nncs1
InChIInChI=1S/C9H12N6OS/c1-7(5-15-4-2-3-11-15)12-8(16)13-9-14-10-6-17-9/h2-4,6-7H,5H2,1H3,(H2,12,13,14,16)
InChIKeyCIMNEIUNTWNELI-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.94
Rot. Bonds4

About 1-(1-pyrazol-1-ylpropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea

1-(1-pyrazol-1-ylpropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea (PubChem CID 47191680) has the molecular formula C9H12N6OS and a molecular weight of 252.30 g/mol. Its IUPAC name is 1-(1-pyrazol-1-ylpropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1-pyrazol-1-ylpropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea
PubChem CID47191680
Molecular FormulaC9H12N6OS
Molecular Weight252.30 g/mol
Exact Mass252.08
IUPAC Name1-(1-pyrazol-1-ylpropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCC(Cn1cccn1)NC(=O)Nc1nncs1
InChIInChI=1S/C9H12N6OS/c1-7(5-15-4-2-3-11-15)12-8(16)13-9-14-10-6-17-9/h2-4,6-7H,5H2,1H3,(H2,12,13,14,16)
InChIKeyCIMNEIUNTWNELI-UHFFFAOYSA-N
XLogP0.94
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94116600
1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea
CID 47250982
1-[(2S)-1-methoxypropan-2-yl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 94024683
1-(2-fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 47027605
1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 30897900
2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54951710
(2R)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
CID 78972625
1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94206368
2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)butanamide
CID 62854654
3-hydroxy-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 61460931
(E)-4-oxo-4-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)but-2-enoic acid
CID 109374295
5-amino-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617127

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrazol-1-ylpropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(1-pyrazol-1-ylpropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea (CID 47191680) is 1-(1-pyrazol-1-ylpropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(1-pyrazol-1-ylpropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(1-pyrazol-1-ylpropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea is CC(Cn1cccn1)NC(=O)Nc1nncs1.
What is the InChIKey of 1-(1-pyrazol-1-ylpropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea?
The InChIKey is CIMNEIUNTWNELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS/c1-7(5-15-4-2-3-11-15)12-8(16)13-9-14-10-6-17-9/h2-4,6-7H,5H2,1H3,(H2,12,13,14,16).
What are the key properties of 1-(1-pyrazol-1-ylpropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea?
1-(1-pyrazol-1-ylpropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea has a molecular weight of 252.30 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrazol-1-ylpropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 47191680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).