1-[1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea

C19H25FN4O3S — CID 53187057

IUPAC1-[1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea
SMILESCC1=C(c2ccc(F)cc2)S(=O)(=O)N=C1N1CCC(NC(=O)NC(C)C)CC1
InChIInChI=1S/C19H25FN4O3S/c1-12(2)21-19(25)22-16-8-10-24(11-9-16)18-13(3)17(28(26,27)23-18)14-4-6-15(20)7-5-14/h4-7,12,16H,8-11H2,1-3H3,(H2,21,22,25)
InChIKeyZPGXTIPPCLWMJU-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.47
Rot. Bonds3

About 1-[1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea

1-[1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea (PubChem CID 53187057) has the molecular formula C19H25FN4O3S and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-[1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea
PubChem CID53187057
Molecular FormulaC19H25FN4O3S
Molecular Weight408.50 g/mol
Exact Mass408.16
IUPAC Name1-[1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea
SMILESCC1=C(c2ccc(F)cc2)S(=O)(=O)N=C1N1CCC(NC(=O)NC(C)C)CC1
InChIInChI=1S/C19H25FN4O3S/c1-12(2)21-19(25)22-16-8-10-24(11-9-16)18-13(3)17(28(26,27)23-18)14-4-6-15(20)7-5-14/h4-7,12,16H,8-11H2,1-3H3,(H2,21,22,25)
InChIKeyZPGXTIPPCLWMJU-UHFFFAOYSA-N
XLogP2.47
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-butan-2-yl-3-[1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]urea
CID 53187039
1-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea
CID 53187044
methyl 2-[[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]carbamoylamino]propanoate
CID 53186992
1-cyclohexyl-3-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]urea
CID 53187036
5-(4-fluorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide
CID 20934698
(2S)-2-methyl-N-[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]butanamide
CID 95102098
N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]-2-phenylpropanamide
CID 53171349
1-(3-methoxypropyl)-3-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]urea
CID 53187001
N-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide
CID 53171399
3-methyl-N-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]thiophene-2-carboxamide
CID 53171402
1-[1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-(3-methoxypropyl)urea
CID 53186994
N-(3-ethoxypropyl)-1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide
CID 20943213

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea (CID 53187057) is 1-[1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea is CC1=C(c2ccc(F)cc2)S(=O)(=O)N=C1N1CCC(NC(=O)NC(C)C)CC1.
What is the InChIKey of 1-[1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea?
The InChIKey is ZPGXTIPPCLWMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3S/c1-12(2)21-19(25)22-16-8-10-24(11-9-16)18-13(3)17(28(26,27)23-18)14-4-6-15(20)7-5-14/h4-7,12,16H,8-11H2,1-3H3,(H2,21,22,25).
What are the key properties of 1-[1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea?
1-[1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea has a molecular weight of 408.50 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea is sourced from PubChem (CID 53187057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).