5-fluoro-N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

C18H22FN7S — CID 97284976

IUPAC5-fluoro-N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCN(C)c1nc(N2CCC[C@H](c3nccn3Cc3cscn3)C2)ncc1F
InChIInChI=1S/C18H22FN7S/c1-24(2)17-15(19)8-21-18(23-17)26-6-3-4-13(9-26)16-20-5-7-25(16)10-14-11-27-12-22-14/h5,7-8,11-13H,3-4,6,9-10H2,1-2H3/t13-/m0/s1
InChIKeyJCPINCOLUWNFBY-ZDUSSCGKSA-N
MW387.49 g/mol
LogP2.77
Rot. Bonds5

About 5-fluoro-N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

5-fluoro-N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 97284976) has the molecular formula C18H22FN7S and a molecular weight of 387.49 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID97284976
Molecular FormulaC18H22FN7S
Molecular Weight387.49 g/mol
Exact Mass387.16
IUPAC Name5-fluoro-N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCN(C)c1nc(N2CCC[C@H](c3nccn3Cc3cscn3)C2)ncc1F
InChIInChI=1S/C18H22FN7S/c1-24(2)17-15(19)8-21-18(23-17)26-6-3-4-13(9-26)16-20-5-7-25(16)10-14-11-27-12-22-14/h5,7-8,11-13H,3-4,6,9-10H2,1-2H3/t13-/m0/s1
InChIKeyJCPINCOLUWNFBY-ZDUSSCGKSA-N
XLogP2.77
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-fluoro-N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

2-Pyrimidin-2-yl-4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 47053717
2-Pyrimidin-2-yl-4-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 53617365
2,5-dimethyl-3-{4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}pyrazine
CID 70735220
5-Fluoro-N,N-dimethyl-2-{4-[(2-methyl-1,3-thiazol-4-YL)methyl]piperazin-1-YL}pyrimidin-4-amine
CID 72900718
3-(1-isopropyl-1H-imidazol-2-yl)-1-(1,3-thiazol-4-ylmethyl)piperidine
CID 72847349
6-{4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}-4-pyrimidinamine
CID 70755095
4-Ethyl-2-[[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,3-thiazole
CID 136551063
5-[4-[3-(Methylsulfinylmethyl)piperidin-1-yl]pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
CID 139343760
2-[1-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole
CID 139357771
5-[4-[3-(Methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
CID 139358272
[2,5-Dimethyl-1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-imino-methyl-lambda4-sulfane
CID 139358772
1-[1-[2-[2-(difluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]-N-methylsulfanylmethanamine
CID 139358780

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (CID 97284976) is 5-fluoro-N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is CN(C)c1nc(N2CCC[C@H](c3nccn3Cc3cscn3)C2)ncc1F.
What is the InChIKey of 5-fluoro-N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is JCPINCOLUWNFBY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22FN7S/c1-24(2)17-15(19)8-21-18(23-17)26-6-3-4-13(9-26)16-20-5-7-25(16)10-14-11-27-12-22-14/h5,7-8,11-13H,3-4,6,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of 5-fluoro-N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
5-fluoro-N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 387.49 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 97284976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).