3-[[4-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-4,5-dihydropyrimidin-2-yl]amino]piperidine-1-carboxamide

C21H24FN7OS — CID 71159748

IUPAC3-[[4-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-4,5-dihydropyrimidin-2-yl]amino]piperidine-1-carboxamide
SMILESNC(=O)N1CCCC(NC2=NC(C3=C(c4ccc(F)cc4)NC4SC=CN34)CC=N2)C1
InChIInChI=1S/C21H24FN7OS/c22-14-5-3-13(4-6-14)17-18(29-10-11-31-21(29)27-17)16-7-8-24-20(26-16)25-15-2-1-9-28(12-15)19(23)30/h3-6,8,10-11,15-16,21,27H,1-2,7,9,12H2,(H2,23,30)(H,25,26)
InChIKeyCWSSQBGPDJCDRQ-UHFFFAOYSA-N
MW441.54 g/mol
LogP2.23
Rot. Bonds3

About 3-[[4-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-4,5-dihydropyrimidin-2-yl]amino]piperidine-1-carboxamide

3-[[4-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-4,5-dihydropyrimidin-2-yl]amino]piperidine-1-carboxamide (PubChem CID 71159748) has the molecular formula C21H24FN7OS and a molecular weight of 441.54 g/mol. Its IUPAC name is 3-[[4-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-4,5-dihydropyrimidin-2-yl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[[4-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-4,5-dihydropyrimidin-2-yl]amino]piperidine-1-carboxamide
PubChem CID71159748
Molecular FormulaC21H24FN7OS
Molecular Weight441.54 g/mol
Exact Mass441.17
IUPAC Name3-[[4-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-4,5-dihydropyrimidin-2-yl]amino]piperidine-1-carboxamide
SMILESNC(=O)N1CCCC(NC2=NC(C3=C(c4ccc(F)cc4)NC4SC=CN34)CC=N2)C1
InChIInChI=1S/C21H24FN7OS/c22-14-5-3-13(4-6-14)17-18(29-10-11-31-21(29)27-17)16-7-8-24-20(26-16)25-15-2-1-9-28(12-15)19(23)30/h3-6,8,10-11,15-16,21,27H,1-2,7,9,12H2,(H2,23,30)(H,25,26)
InChIKeyCWSSQBGPDJCDRQ-UHFFFAOYSA-N
XLogP2.23
TPSA98.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[4-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-4,5-dihydropyrimidin-2-yl]amino]piperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-4,5-dihydropyrimidin-2-yl]amino]piperidine-1-carboxamide?
The IUPAC name of 3-[[4-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-4,5-dihydropyrimidin-2-yl]amino]piperidine-1-carboxamide (CID 71159748) is 3-[[4-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-4,5-dihydropyrimidin-2-yl]amino]piperidine-1-carboxamide.
What is the SMILES notation for 3-[[4-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-4,5-dihydropyrimidin-2-yl]amino]piperidine-1-carboxamide?
The canonical SMILES for 3-[[4-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-4,5-dihydropyrimidin-2-yl]amino]piperidine-1-carboxamide is NC(=O)N1CCCC(NC2=NC(C3=C(c4ccc(F)cc4)NC4SC=CN34)CC=N2)C1.
What is the InChIKey of 3-[[4-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-4,5-dihydropyrimidin-2-yl]amino]piperidine-1-carboxamide?
The InChIKey is CWSSQBGPDJCDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN7OS/c22-14-5-3-13(4-6-14)17-18(29-10-11-31-21(29)27-17)16-7-8-24-20(26-16)25-15-2-1-9-28(12-15)19(23)30/h3-6,8,10-11,15-16,21,27H,1-2,7,9,12H2,(H2,23,30)(H,25,26).
What are the key properties of 3-[[4-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-4,5-dihydropyrimidin-2-yl]amino]piperidine-1-carboxamide?
3-[[4-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-4,5-dihydropyrimidin-2-yl]amino]piperidine-1-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-4,5-dihydropyrimidin-2-yl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 71159748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).