1-[2-[(4,5-dimethyl-1,3-thiazolidin-2-yl)amino]ethyl]-1-ethyl-3-(3-fluoropiperidin-4-yl)urea

C15H30FN5OS — CID 154607667

IUPAC1-[2-[(4,5-dimethyl-1,3-thiazolidin-2-yl)amino]ethyl]-1-ethyl-3-(3-fluoropiperidin-4-yl)urea
SMILESCCN(CCNC1NC(C)C(C)S1)C(=O)NC1CCNCC1F
InChIInChI=1S/C15H30FN5OS/c1-4-21(8-7-18-14-19-10(2)11(3)23-14)15(22)20-13-5-6-17-9-12(13)16/h10-14,17-19H,4-9H2,1-3H3,(H,20,22)
InChIKeyJWHPUCFXODGBRY-UHFFFAOYSA-N
MW347.50 g/mol
LogP0.70
Rot. Bonds6

About 1-[2-[(4,5-dimethyl-1,3-thiazolidin-2-yl)amino]ethyl]-1-ethyl-3-(3-fluoropiperidin-4-yl)urea

1-[2-[(4,5-dimethyl-1,3-thiazolidin-2-yl)amino]ethyl]-1-ethyl-3-(3-fluoropiperidin-4-yl)urea (PubChem CID 154607667) has the molecular formula C15H30FN5OS and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-[2-[(4,5-dimethyl-1,3-thiazolidin-2-yl)amino]ethyl]-1-ethyl-3-(3-fluoropiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[2-[(4,5-dimethyl-1,3-thiazolidin-2-yl)amino]ethyl]-1-ethyl-3-(3-fluoropiperidin-4-yl)urea
PubChem CID154607667
Molecular FormulaC15H30FN5OS
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name1-[2-[(4,5-dimethyl-1,3-thiazolidin-2-yl)amino]ethyl]-1-ethyl-3-(3-fluoropiperidin-4-yl)urea
SMILESCCN(CCNC1NC(C)C(C)S1)C(=O)NC1CCNCC1F
InChIInChI=1S/C15H30FN5OS/c1-4-21(8-7-18-14-19-10(2)11(3)23-14)15(22)20-13-5-6-17-9-12(13)16/h10-14,17-19H,4-9H2,1-3H3,(H,20,22)
InChIKeyJWHPUCFXODGBRY-UHFFFAOYSA-N
XLogP0.70
TPSA68.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4,5-dimethyl-1,3-thiazolidin-2-yl)amino]ethyl]-1-ethyl-3-(3-fluoropiperidin-4-yl)urea?
The IUPAC name of 1-[2-[(4,5-dimethyl-1,3-thiazolidin-2-yl)amino]ethyl]-1-ethyl-3-(3-fluoropiperidin-4-yl)urea (CID 154607667) is 1-[2-[(4,5-dimethyl-1,3-thiazolidin-2-yl)amino]ethyl]-1-ethyl-3-(3-fluoropiperidin-4-yl)urea.
What is the SMILES notation for 1-[2-[(4,5-dimethyl-1,3-thiazolidin-2-yl)amino]ethyl]-1-ethyl-3-(3-fluoropiperidin-4-yl)urea?
The canonical SMILES for 1-[2-[(4,5-dimethyl-1,3-thiazolidin-2-yl)amino]ethyl]-1-ethyl-3-(3-fluoropiperidin-4-yl)urea is CCN(CCNC1NC(C)C(C)S1)C(=O)NC1CCNCC1F.
What is the InChIKey of 1-[2-[(4,5-dimethyl-1,3-thiazolidin-2-yl)amino]ethyl]-1-ethyl-3-(3-fluoropiperidin-4-yl)urea?
The InChIKey is JWHPUCFXODGBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30FN5OS/c1-4-21(8-7-18-14-19-10(2)11(3)23-14)15(22)20-13-5-6-17-9-12(13)16/h10-14,17-19H,4-9H2,1-3H3,(H,20,22).
What are the key properties of 1-[2-[(4,5-dimethyl-1,3-thiazolidin-2-yl)amino]ethyl]-1-ethyl-3-(3-fluoropiperidin-4-yl)urea?
1-[2-[(4,5-dimethyl-1,3-thiazolidin-2-yl)amino]ethyl]-1-ethyl-3-(3-fluoropiperidin-4-yl)urea has a molecular weight of 347.50 g/mol, XLogP of 0.70, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4,5-dimethyl-1,3-thiazolidin-2-yl)amino]ethyl]-1-ethyl-3-(3-fluoropiperidin-4-yl)urea is sourced from PubChem (CID 154607667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).