1,1,3-trimethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]urea

C13H22N4OS — CID 166603326

IUPAC1,1,3-trimethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]urea
SMILESCc1cnc(N2CCC(N(C)C(=O)N(C)C)CC2)s1
InChIInChI=1S/C13H22N4OS/c1-10-9-14-12(19-10)17-7-5-11(6-8-17)16(4)13(18)15(2)3/h9,11H,5-8H2,1-4H3
InChIKeyIXYUBPPSBPWHGT-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.03
Rot. Bonds2

About 1,1,3-trimethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]urea

1,1,3-trimethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]urea (PubChem CID 166603326) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1,1,3-trimethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]urea
PubChem CID166603326
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name1,1,3-trimethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]urea
SMILESCc1cnc(N2CCC(N(C)C(=O)N(C)C)CC2)s1
InChIInChI=1S/C13H22N4OS/c1-10-9-14-12(19-10)17-7-5-11(6-8-17)16(4)13(18)15(2)3/h9,11H,5-8H2,1-4H3
InChIKeyIXYUBPPSBPWHGT-UHFFFAOYSA-N
XLogP2.03
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]urea?
The IUPAC name of 1,1,3-trimethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]urea (CID 166603326) is 1,1,3-trimethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1,1,3-trimethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]urea?
The canonical SMILES for 1,1,3-trimethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]urea is Cc1cnc(N2CCC(N(C)C(=O)N(C)C)CC2)s1.
What is the InChIKey of 1,1,3-trimethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]urea?
The InChIKey is IXYUBPPSBPWHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-10-9-14-12(19-10)17-7-5-11(6-8-17)16(4)13(18)15(2)3/h9,11H,5-8H2,1-4H3.
What are the key properties of 1,1,3-trimethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]urea?
1,1,3-trimethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]urea has a molecular weight of 282.41 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]urea is sourced from PubChem (CID 166603326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).