2-N-[6-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine

C20H25FN6S — CID 70831741

IUPAC2-N-[6-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)NC1=NCC=C(C2=C(c3ccc(F)cc3)NC3SC=CN23)N1
InChIInChI=1S/C20H25FN6S/c1-13(12-26(2)3)23-19-22-9-8-16(24-19)18-17(14-4-6-15(21)7-5-14)25-20-27(18)10-11-28-20/h4-8,10-11,13,20,25H,9,12H2,1-3H3,(H2,22,23,24)
InChIKeyRFJKPEBSDYRMBA-UHFFFAOYSA-N
MW400.53 g/mol
LogP2.28
Rot. Bonds5

About 2-N-[6-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[6-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 70831741) has the molecular formula C20H25FN6S and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-N-[6-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[6-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID70831741
Molecular FormulaC20H25FN6S
Molecular Weight400.53 g/mol
Exact Mass400.18
IUPAC Name2-N-[6-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)NC1=NCC=C(C2=C(c3ccc(F)cc3)NC3SC=CN23)N1
InChIInChI=1S/C20H25FN6S/c1-13(12-26(2)3)23-19-22-9-8-16(24-19)18-17(14-4-6-15(21)7-5-14)25-20-27(18)10-11-28-20/h4-8,10-11,13,20,25H,9,12H2,1-3H3,(H2,22,23,24)
InChIKeyRFJKPEBSDYRMBA-UHFFFAOYSA-N
XLogP2.28
TPSA54.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-N-[6-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine with MolForge

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Related Compounds

4-(2-Fluorophenyl)-2-methyl-6-piperazin-1-yl-3,7a-dihydrothieno[2,3-d]pyrimidine
CID 66756866
6-(4-Fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazole
CID 70831734
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
2-[1-(dimethylamino)propan-2-yl]-1-[(1Z)-1-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]buta-1,3-dienyl]guanidine
CID 88885045
1-[4-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-4,5-dihydro-1,3-thiazol-2-yl]-3-[1-(3-fluorophenyl)ethyl]urea
CID 88898753
1-[6-(2-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine
CID 141286819
(1S)-1-[6-(3-fluorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine
CID 141286820
1-[6-(3,5-difluorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethanamine
CID 141286841
N-[(Z)-2-[3-ethyl-2-[[2-(3-fluorophenyl)-4,5-dihydroimidazol-1-yl]methyl]-1,2-dihydroimidazol-4-yl]ethenyl]methanimine
CID 142149674
2-N-[(3E,5Z)-3,6-dimethylnona-3,5,8-trien-4-yl]-1-[(3,4,5-trifluorophenyl)methyl]-4H-pyrimidine-2,5-diamine
CID 145173513
4-(2-Fluorophenyl)-2-piperazin-1-yl-2,3-dihydro-1,3-thiazole
CID 163429754
N-[1-(3-fluorophenyl)-2-(1-methyl-2H-pyridin-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 164057835

Frequently Asked Questions

What is the IUPAC name of 2-N-[6-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[6-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 70831741) is 2-N-[6-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[6-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[6-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine is CC(CN(C)C)NC1=NCC=C(C2=C(c3ccc(F)cc3)NC3SC=CN23)N1.
What is the InChIKey of 2-N-[6-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is RFJKPEBSDYRMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6S/c1-13(12-26(2)3)23-19-22-9-8-16(24-19)18-17(14-4-6-15(21)7-5-14)25-20-27(18)10-11-28-20/h4-8,10-11,13,20,25H,9,12H2,1-3H3,(H2,22,23,24).
What are the key properties of 2-N-[6-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[6-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 400.53 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[6-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 70831741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).