1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[2-(3,5-difluorophenyl)-1,3-thiazol-4-yl]-1-methylurea

C22H26F2N4O2S — CID 10160974

IUPAC1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[2-(3,5-difluorophenyl)-1,3-thiazol-4-yl]-1-methylurea
SMILESCN(C(=O)Nc1csc(-c2cc(F)cc(F)c2)n1)C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C22H26F2N4O2S/c1-27(18-6-8-28(9-7-18)21(29)14-4-2-3-5-14)22(30)26-19-13-31-20(25-19)15-10-16(23)12-17(24)11-15/h10-14,18H,2-9H2,1H3,(H,26,30)
InChIKeyGOEHSMIMNCBKHR-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.73
Rot. Bonds4

About 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[2-(3,5-difluorophenyl)-1,3-thiazol-4-yl]-1-methylurea

1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[2-(3,5-difluorophenyl)-1,3-thiazol-4-yl]-1-methylurea (PubChem CID 10160974) has the molecular formula C22H26F2N4O2S and a molecular weight of 448.54 g/mol. Its IUPAC name is 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[2-(3,5-difluorophenyl)-1,3-thiazol-4-yl]-1-methylurea.

Molecular Properties

Compound Name1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[2-(3,5-difluorophenyl)-1,3-thiazol-4-yl]-1-methylurea
PubChem CID10160974
Molecular FormulaC22H26F2N4O2S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC Name1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[2-(3,5-difluorophenyl)-1,3-thiazol-4-yl]-1-methylurea
SMILESCN(C(=O)Nc1csc(-c2cc(F)cc(F)c2)n1)C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C22H26F2N4O2S/c1-27(18-6-8-28(9-7-18)21(29)14-4-2-3-5-14)22(30)26-19-13-31-20(25-19)15-10-16(23)12-17(24)11-15/h10-14,18H,2-9H2,1H3,(H,26,30)
InChIKeyGOEHSMIMNCBKHR-UHFFFAOYSA-N
XLogP4.73
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[2-(3,5-difluorophenyl)-1,3-thiazol-4-yl]-1-methylurea?
The IUPAC name of 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[2-(3,5-difluorophenyl)-1,3-thiazol-4-yl]-1-methylurea (CID 10160974) is 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[2-(3,5-difluorophenyl)-1,3-thiazol-4-yl]-1-methylurea.
What is the SMILES notation for 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[2-(3,5-difluorophenyl)-1,3-thiazol-4-yl]-1-methylurea?
The canonical SMILES for 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[2-(3,5-difluorophenyl)-1,3-thiazol-4-yl]-1-methylurea is CN(C(=O)Nc1csc(-c2cc(F)cc(F)c2)n1)C1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[2-(3,5-difluorophenyl)-1,3-thiazol-4-yl]-1-methylurea?
The InChIKey is GOEHSMIMNCBKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N4O2S/c1-27(18-6-8-28(9-7-18)21(29)14-4-2-3-5-14)22(30)26-19-13-31-20(25-19)15-10-16(23)12-17(24)11-15/h10-14,18H,2-9H2,1H3,(H,26,30).
What are the key properties of 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[2-(3,5-difluorophenyl)-1,3-thiazol-4-yl]-1-methylurea?
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[2-(3,5-difluorophenyl)-1,3-thiazol-4-yl]-1-methylurea has a molecular weight of 448.54 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[2-(3,5-difluorophenyl)-1,3-thiazol-4-yl]-1-methylurea is sourced from PubChem (CID 10160974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).