N-[1-(3-fluorophenyl)piperidin-4-yl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine

C18H20FN5S2 — CID 133427987

IUPACN-[1-(3-fluorophenyl)piperidin-4-yl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCSc1nc2ncnc(N(C)C3CCN(c4cccc(F)c4)CC3)c2s1
InChIInChI=1S/C18H20FN5S2/c1-23(17-15-16(20-11-21-17)22-18(25-2)26-15)13-6-8-24(9-7-13)14-5-3-4-12(19)10-14/h3-5,10-11,13H,6-9H2,1-2H3
InChIKeyWDQOBUVVZAXZEQ-UHFFFAOYSA-N
MW389.53 g/mol
LogP4.05
Rot. Bonds4

About N-[1-(3-fluorophenyl)piperidin-4-yl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine

N-[1-(3-fluorophenyl)piperidin-4-yl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (PubChem CID 133427987) has the molecular formula C18H20FN5S2 and a molecular weight of 389.53 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)piperidin-4-yl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)piperidin-4-yl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
PubChem CID133427987
Molecular FormulaC18H20FN5S2
Molecular Weight389.53 g/mol
Exact Mass389.11
IUPAC NameN-[1-(3-fluorophenyl)piperidin-4-yl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCSc1nc2ncnc(N(C)C3CCN(c4cccc(F)c4)CC3)c2s1
InChIInChI=1S/C18H20FN5S2/c1-23(17-15-16(20-11-21-17)22-18(25-2)26-15)13-6-8-24(9-7-13)14-5-3-4-12(19)10-14/h3-5,10-11,13H,6-9H2,1-2H3
InChIKeyWDQOBUVVZAXZEQ-UHFFFAOYSA-N
XLogP4.05
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[1-(3-fluorophenyl)piperidin-4-yl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-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

3-[4-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]phenol
CID 133426611
N-methyl-2-methylsulfanyl-N-(1-phenylethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133334485
1-(3-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-amine
CID 166194806
1-(3-fluorophenyl)-N-methyl-N-[(2S)-2-methyl-3-methylsulfonylpropyl]piperidin-4-amine
CID 97320479
4-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)-1,4-oxazepane
CID 139355711
1-(3-fluorophenyl)-4-methylsulfonylpiperidine
CID 138533528
1-(3-fluorophenyl)piperidine-4-carboxamide
CID 117008345
6-[[1-(3-fluorophenyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid
CID 167900008
7-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
CID 133354561
N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 171540166
1-(3-fluorophenyl)-4-pyrrolidin-3-ylpiperidine
CID 117022829
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N-methylpyridin-2-amine
CID 155976434

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)piperidin-4-yl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-[1-(3-fluorophenyl)piperidin-4-yl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (CID 133427987) is N-[1-(3-fluorophenyl)piperidin-4-yl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)piperidin-4-yl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)piperidin-4-yl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is CSc1nc2ncnc(N(C)C3CCN(c4cccc(F)c4)CC3)c2s1.
What is the InChIKey of N-[1-(3-fluorophenyl)piperidin-4-yl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is WDQOBUVVZAXZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5S2/c1-23(17-15-16(20-11-21-17)22-18(25-2)26-15)13-6-8-24(9-7-13)14-5-3-4-12(19)10-14/h3-5,10-11,13H,6-9H2,1-2H3.
What are the key properties of N-[1-(3-fluorophenyl)piperidin-4-yl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
N-[1-(3-fluorophenyl)piperidin-4-yl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 389.53 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)piperidin-4-yl]-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 133427987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).