N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-[(1-methylimidazol-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine

C17H17FN8S — CID 58398865

IUPACN-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-[(1-methylimidazol-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
SMILESCc1nc2c(Cc3cn(C)cn3)nc(N[C@@H](C)c3ncc(F)cn3)nc2s1
InChIInChI=1S/C17H17FN8S/c1-9(15-19-5-11(18)6-20-15)22-17-24-13(4-12-7-26(3)8-21-12)14-16(25-17)27-10(2)23-14/h5-9H,4H2,1-3H3,(H,22,24,25)/t9-/m0/s1
InChIKeyCIWASBXDBWZXAV-VIFPVBQESA-N
MW384.44 g/mol
LogP2.82
Rot. Bonds5

About N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-[(1-methylimidazol-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine

N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-[(1-methylimidazol-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine (PubChem CID 58398865) has the molecular formula C17H17FN8S and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-[(1-methylimidazol-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-[(1-methylimidazol-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
PubChem CID58398865
Molecular FormulaC17H17FN8S
Molecular Weight384.44 g/mol
Exact Mass384.13
IUPAC NameN-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-[(1-methylimidazol-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
SMILESCc1nc2c(Cc3cn(C)cn3)nc(N[C@@H](C)c3ncc(F)cn3)nc2s1
InChIInChI=1S/C17H17FN8S/c1-9(15-19-5-11(18)6-20-15)22-17-24-13(4-12-7-26(3)8-21-12)14-16(25-17)27-10(2)23-14/h5-9H,4H2,1-3H3,(H,22,24,25)/t9-/m0/s1
InChIKeyCIWASBXDBWZXAV-VIFPVBQESA-N
XLogP2.82
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-[(1-methylimidazol-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine with MolForge

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

Launch Full Analysis

Related Compounds

5-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-N-(1-methylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 67331638
N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-1-methyl-4-[(1-methylimidazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 58398880
N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-2-amine
CID 58398884
4-(benzhydrylideneamino)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-[(1-methylimidazol-4-yl)methyl]pyrimidin-2-amine
CID 58398914
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-4-N-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 45275254
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-methyl-4-N-(1-methylimidazol-4-yl)pyrimidine-2,4-diamine
CID 46175461
4-[(1-ethylimidazol-4-yl)methyl]-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 58367411
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-(3-methoxyazetidin-1-yl)-4-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 67300476
7-chloro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine
CID 45275680
2-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-methoxy-4-N-(1-methylimidazol-4-yl)pyrimidine-2,4-diamine
CID 46175459
2-[6-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-4-[(1-methylimidazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
CID 45275365
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methoxy-4-N-(1-methylimidazol-4-yl)quinazoline-2,4-diamine
CID 45275469

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-[(1-methylimidazol-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The IUPAC name of N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-[(1-methylimidazol-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine (CID 58398865) is N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-[(1-methylimidazol-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine.
What is the SMILES notation for N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-[(1-methylimidazol-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The canonical SMILES for N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-[(1-methylimidazol-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine is Cc1nc2c(Cc3cn(C)cn3)nc(N[C@@H](C)c3ncc(F)cn3)nc2s1.
What is the InChIKey of N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-[(1-methylimidazol-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The InChIKey is CIWASBXDBWZXAV-VIFPVBQESA-N. The full InChI is InChI=1S/C17H17FN8S/c1-9(15-19-5-11(18)6-20-15)22-17-24-13(4-12-7-26(3)8-21-12)14-16(25-17)27-10(2)23-14/h5-9H,4H2,1-3H3,(H,22,24,25)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-[(1-methylimidazol-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-[(1-methylimidazol-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine has a molecular weight of 384.44 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-[(1-methylimidazol-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine is sourced from PubChem (CID 58398865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).