1-[(2R)-2-hydroxy-4-methylpentyl]-3-(1,3,4-thiadiazol-2-yl)urea

C9H16N4O2S — CID 95977557

IUPAC1-[(2R)-2-hydroxy-4-methylpentyl]-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCC(C)C[C@@H](O)CNC(=O)Nc1nncs1
InChIInChI=1S/C9H16N4O2S/c1-6(2)3-7(14)4-10-8(15)12-9-13-11-5-16-9/h5-7,14H,3-4H2,1-2H3,(H2,10,12,13,15)/t7-/m1/s1
InChIKeyOGTALRIAIKEGRJ-SSDOTTSWSA-N
MW244.32 g/mol
LogP1.07
Rot. Bonds5

About 1-[(2R)-2-hydroxy-4-methylpentyl]-3-(1,3,4-thiadiazol-2-yl)urea

1-[(2R)-2-hydroxy-4-methylpentyl]-3-(1,3,4-thiadiazol-2-yl)urea (PubChem CID 95977557) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-4-methylpentyl]-3-(1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-4-methylpentyl]-3-(1,3,4-thiadiazol-2-yl)urea
PubChem CID95977557
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name1-[(2R)-2-hydroxy-4-methylpentyl]-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCC(C)C[C@@H](O)CNC(=O)Nc1nncs1
InChIInChI=1S/C9H16N4O2S/c1-6(2)3-7(14)4-10-8(15)12-9-13-11-5-16-9/h5-7,14H,3-4H2,1-2H3,(H2,10,12,13,15)/t7-/m1/s1
InChIKeyOGTALRIAIKEGRJ-SSDOTTSWSA-N
XLogP1.07
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-4-methylpentyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-[(2R)-2-hydroxy-4-methylpentyl]-3-(1,3,4-thiadiazol-2-yl)urea (CID 95977557) is 1-[(2R)-2-hydroxy-4-methylpentyl]-3-(1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-4-methylpentyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-4-methylpentyl]-3-(1,3,4-thiadiazol-2-yl)urea is CC(C)C[C@@H](O)CNC(=O)Nc1nncs1.
What is the InChIKey of 1-[(2R)-2-hydroxy-4-methylpentyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The InChIKey is OGTALRIAIKEGRJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-6(2)3-7(14)4-10-8(15)12-9-13-11-5-16-9/h5-7,14H,3-4H2,1-2H3,(H2,10,12,13,15)/t7-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxy-4-methylpentyl]-3-(1,3,4-thiadiazol-2-yl)urea?
1-[(2R)-2-hydroxy-4-methylpentyl]-3-(1,3,4-thiadiazol-2-yl)urea has a molecular weight of 244.32 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-4-methylpentyl]-3-(1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 95977557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).