6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine

C18H25FN6S — CID 90958831

IUPAC6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
SMILESNC1SC2=C(N=CN(c3ccc(F)cc3)C2N)N1CCN1CCCCC1
InChIInChI=1S/C18H25FN6S/c19-13-4-6-14(7-5-13)25-12-22-17-15(16(25)20)26-18(21)24(17)11-10-23-8-2-1-3-9-23/h4-7,12,16,18H,1-3,8-11,20-21H2
InChIKeyOMUMOIKQYZZDLZ-UHFFFAOYSA-N
MW376.51 g/mol
LogP1.90
Rot. Bonds4

About 6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine

6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine (PubChem CID 90958831) has the molecular formula C18H25FN6S and a molecular weight of 376.51 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
PubChem CID90958831
Molecular FormulaC18H25FN6S
Molecular Weight376.51 g/mol
Exact Mass376.18
IUPAC Name6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
SMILESNC1SC2=C(N=CN(c3ccc(F)cc3)C2N)N1CCN1CCCCC1
InChIInChI=1S/C18H25FN6S/c19-13-4-6-14(7-5-13)25-12-22-17-15(16(25)20)26-18(21)24(17)11-10-23-8-2-1-3-9-23/h4-7,12,16,18H,1-3,8-11,20-21H2
InChIKeyOMUMOIKQYZZDLZ-UHFFFAOYSA-N
XLogP1.90
TPSA74.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N'-(6-aminohexyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide
CID 10065552
N'-(6-aminohexyl)-N-(4-fluorophenyl)piperidine-1-carboximidamide
CID 24879519
6-(4-Fluorophenyl)-7-imino-2-(1-piperidinyl)-6,7-dihydro[1,3]selenazolo[4,5-d]pyrimidine-5(4h)-thione
CID 146037783
N'-(4-aminobutyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide
CID 10380508
3-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-3-methyl-4H-pyrimidin-3-ium-4,6-diamine
CID 69252046
4-fluoro-N-[(2-piperidin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methyl]aniline
CID 70293248
1-(3-Fluorophenyl)-4,5-dihydroimidazol-1-ium-1-carbothioamide
CID 88747818
6-(3-Chloro-4-fluorophenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
CID 90821118
6-(3-Chloro-4-fluorophenyl)-3-(2-pyrrolidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
CID 90843448
6-(3-Chloro-4-fluorophenyl)-3-(1-propylpiperidin-4-yl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
CID 90895249
1-Phenyl-6-[4-(trifluoromethyl)phenyl]-2,7-dihydro-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 91053900
6-(3-Chloro-4-fluorophenyl)-3-[2-(dimethylamino)ethyl]-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
CID 91117393

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
The IUPAC name of 6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine (CID 90958831) is 6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
The canonical SMILES for 6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine is NC1SC2=C(N=CN(c3ccc(F)cc3)C2N)N1CCN1CCCCC1.
What is the InChIKey of 6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
The InChIKey is OMUMOIKQYZZDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN6S/c19-13-4-6-14(7-5-13)25-12-22-17-15(16(25)20)26-18(21)24(17)11-10-23-8-2-1-3-9-23/h4-7,12,16,18H,1-3,8-11,20-21H2.
What are the key properties of 6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine has a molecular weight of 376.51 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)-2,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 90958831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).