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

C18H20F2N4O2S — CID 20829827

IUPAC1-(1-acetylpiperidin-4-yl)-3-[2-(3,5-difluorophenyl)-1,3-thiazol-5-yl]-1-methylurea
SMILESCC(=O)N1CCC(N(C)C(=O)Nc2cnc(-c3cc(F)cc(F)c3)s2)CC1
InChIInChI=1S/C18H20F2N4O2S/c1-11(25)24-5-3-15(4-6-24)23(2)18(26)22-16-10-21-17(27-16)12-7-13(19)9-14(20)8-12/h7-10,15H,3-6H2,1-2H3,(H,22,26)
InChIKeyVAULPPONVBXYQN-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.56
Rot. Bonds3

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

1-(1-acetylpiperidin-4-yl)-3-[2-(3,5-difluorophenyl)-1,3-thiazol-5-yl]-1-methylurea (PubChem CID 20829827) has the molecular formula C18H20F2N4O2S and a molecular weight of 394.45 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-[2-(3,5-difluorophenyl)-1,3-thiazol-5-yl]-1-methylurea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-[2-(3,5-difluorophenyl)-1,3-thiazol-5-yl]-1-methylurea
PubChem CID20829827
Molecular FormulaC18H20F2N4O2S
Molecular Weight394.45 g/mol
Exact Mass394.13
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-[2-(3,5-difluorophenyl)-1,3-thiazol-5-yl]-1-methylurea
SMILESCC(=O)N1CCC(N(C)C(=O)Nc2cnc(-c3cc(F)cc(F)c3)s2)CC1
InChIInChI=1S/C18H20F2N4O2S/c1-11(25)24-5-3-15(4-6-24)23(2)18(26)22-16-10-21-17(27-16)12-7-13(19)9-14(20)8-12/h7-10,15H,3-6H2,1-2H3,(H,22,26)
InChIKeyVAULPPONVBXYQN-UHFFFAOYSA-N
XLogP3.56
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-acetylpiperidin-4-yl)-3-[2-(3,5-difluorophenyl)-1,3-thiazol-5-yl]-1-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[2-(3,5-difluorophenyl)-1,3-thiazol-5-yl]-1-methylurea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[2-(3,5-difluorophenyl)-1,3-thiazol-5-yl]-1-methylurea (CID 20829827) is 1-(1-acetylpiperidin-4-yl)-3-[2-(3,5-difluorophenyl)-1,3-thiazol-5-yl]-1-methylurea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-[2-(3,5-difluorophenyl)-1,3-thiazol-5-yl]-1-methylurea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-[2-(3,5-difluorophenyl)-1,3-thiazol-5-yl]-1-methylurea is CC(=O)N1CCC(N(C)C(=O)Nc2cnc(-c3cc(F)cc(F)c3)s2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-[2-(3,5-difluorophenyl)-1,3-thiazol-5-yl]-1-methylurea?
The InChIKey is VAULPPONVBXYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O2S/c1-11(25)24-5-3-15(4-6-24)23(2)18(26)22-16-10-21-17(27-16)12-7-13(19)9-14(20)8-12/h7-10,15H,3-6H2,1-2H3,(H,22,26).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-[2-(3,5-difluorophenyl)-1,3-thiazol-5-yl]-1-methylurea?
1-(1-acetylpiperidin-4-yl)-3-[2-(3,5-difluorophenyl)-1,3-thiazol-5-yl]-1-methylurea has a molecular weight of 394.45 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-[2-(3,5-difluorophenyl)-1,3-thiazol-5-yl]-1-methylurea is sourced from PubChem (CID 20829827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).