1-(1-methylpiperidin-3-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea

C10H17N5OS — CID 46990307

IUPAC1-(1-methylpiperidin-3-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
SMILESCc1nsc(NC(=O)NC2CCCN(C)C2)n1
InChIInChI=1S/C10H17N5OS/c1-7-11-10(17-14-7)13-9(16)12-8-4-3-5-15(2)6-8/h8H,3-6H2,1-2H3,(H2,11,12,13,14,16)
InChIKeyXCMVRRXCHUGLGM-UHFFFAOYSA-N
MW255.35 g/mol
LogP1.06
Rot. Bonds2

About 1-(1-methylpiperidin-3-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea

1-(1-methylpiperidin-3-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea (PubChem CID 46990307) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-(1-methylpiperidin-3-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-(1-methylpiperidin-3-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
PubChem CID46990307
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name1-(1-methylpiperidin-3-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
SMILESCc1nsc(NC(=O)NC2CCCN(C)C2)n1
InChIInChI=1S/C10H17N5OS/c1-7-11-10(17-14-7)13-9(16)12-8-4-3-5-15(2)6-8/h8H,3-6H2,1-2H3,(H2,11,12,13,14,16)
InChIKeyXCMVRRXCHUGLGM-UHFFFAOYSA-N
XLogP1.06
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-3-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
The IUPAC name of 1-(1-methylpiperidin-3-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea (CID 46990307) is 1-(1-methylpiperidin-3-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea.
What is the SMILES notation for 1-(1-methylpiperidin-3-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
The canonical SMILES for 1-(1-methylpiperidin-3-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea is Cc1nsc(NC(=O)NC2CCCN(C)C2)n1.
What is the InChIKey of 1-(1-methylpiperidin-3-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
The InChIKey is XCMVRRXCHUGLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-7-11-10(17-14-7)13-9(16)12-8-4-3-5-15(2)6-8/h8H,3-6H2,1-2H3,(H2,11,12,13,14,16).
What are the key properties of 1-(1-methylpiperidin-3-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
1-(1-methylpiperidin-3-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea has a molecular weight of 255.35 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-3-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 46990307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).