1-(1-methylpiperidin-4-yl)-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea

C14H19N5OS2 — CID 75524377

IUPAC1-(1-methylpiperidin-4-yl)-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea
SMILESCc1ccsc1-c1nsc(NC(=O)NC2CCN(C)CC2)n1
InChIInChI=1S/C14H19N5OS2/c1-9-5-8-21-11(9)12-16-14(22-18-12)17-13(20)15-10-3-6-19(2)7-4-10/h5,8,10H,3-4,6-7H2,1-2H3,(H2,15,16,17,18,20)
InChIKeyLHYDIIAMBXMROZ-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.79
Rot. Bonds3

About 1-(1-methylpiperidin-4-yl)-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea

1-(1-methylpiperidin-4-yl)-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea (PubChem CID 75524377) has the molecular formula C14H19N5OS2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea
PubChem CID75524377
Molecular FormulaC14H19N5OS2
Molecular Weight337.47 g/mol
Exact Mass337.10
IUPAC Name1-(1-methylpiperidin-4-yl)-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea
SMILESCc1ccsc1-c1nsc(NC(=O)NC2CCN(C)CC2)n1
InChIInChI=1S/C14H19N5OS2/c1-9-5-8-21-11(9)12-16-14(22-18-12)17-13(20)15-10-3-6-19(2)7-4-10/h5,8,10H,3-4,6-7H2,1-2H3,(H2,15,16,17,18,20)
InChIKeyLHYDIIAMBXMROZ-UHFFFAOYSA-N
XLogP2.79
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea (CID 75524377) is 1-(1-methylpiperidin-4-yl)-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea is Cc1ccsc1-c1nsc(NC(=O)NC2CCN(C)CC2)n1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea?
The InChIKey is LHYDIIAMBXMROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS2/c1-9-5-8-21-11(9)12-16-14(22-18-12)17-13(20)15-10-3-6-19(2)7-4-10/h5,8,10H,3-4,6-7H2,1-2H3,(H2,15,16,17,18,20).
What are the key properties of 1-(1-methylpiperidin-4-yl)-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea?
1-(1-methylpiperidin-4-yl)-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea has a molecular weight of 337.47 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea is sourced from PubChem (CID 75524377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).