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

C11H19N5OS — CID 46999542

IUPAC1-methyl-1-(1-methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
SMILESCc1nsc(NC(=O)N(C)C2CCN(C)CC2)n1
InChIInChI=1S/C11H19N5OS/c1-8-12-10(18-14-8)13-11(17)16(3)9-4-6-15(2)7-5-9/h9H,4-7H2,1-3H3,(H,12,13,14,17)
InChIKeyHKHPFPDFSTWDJG-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.40
Rot. Bonds2

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

1-methyl-1-(1-methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea (PubChem CID 46999542) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-methyl-1-(1-methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-methyl-1-(1-methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
PubChem CID46999542
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name1-methyl-1-(1-methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
SMILESCc1nsc(NC(=O)N(C)C2CCN(C)CC2)n1
InChIInChI=1S/C11H19N5OS/c1-8-12-10(18-14-8)13-11(17)16(3)9-4-6-15(2)7-5-9/h9H,4-7H2,1-3H3,(H,12,13,14,17)
InChIKeyHKHPFPDFSTWDJG-UHFFFAOYSA-N
XLogP1.40
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpiperidin-3-yl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 46990307
1-(1-Methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 47000263
4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 50968784
2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 50977048
3-methyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65267689
3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65276447
4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46984917
N-cycloheptyl-N-methyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 46985119
N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-azaspiro[2.5]octane-4-carboxamide
CID 46985954
3-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46986528
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 75520974
N-[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 96567409

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(1-methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
The IUPAC name of 1-methyl-1-(1-methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea (CID 46999542) is 1-methyl-1-(1-methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea.
What is the SMILES notation for 1-methyl-1-(1-methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
The canonical SMILES for 1-methyl-1-(1-methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea is Cc1nsc(NC(=O)N(C)C2CCN(C)CC2)n1.
What is the InChIKey of 1-methyl-1-(1-methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
The InChIKey is HKHPFPDFSTWDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-8-12-10(18-14-8)13-11(17)16(3)9-4-6-15(2)7-5-9/h9H,4-7H2,1-3H3,(H,12,13,14,17).
What are the key properties of 1-methyl-1-(1-methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
1-methyl-1-(1-methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea has a molecular weight of 269.37 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1-methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 46999542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).