8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C24H15F2N7S — CID 146490613

IUPAC8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2ccc(F)cc2)c(-c2ccc3ncsc3c2)c2nc(Cc3ncccc3F)nn12
InChIInChI=1S/C24H15F2N7S/c25-15-6-3-13(4-7-15)22-21(14-5-8-17-19(10-14)34-12-29-17)23-30-20(32-33(23)24(27)31-22)11-18-16(26)2-1-9-28-18/h1-10,12H,11H2,(H2,27,31)
InChIKeyCFTJBHKEKGBEOW-UHFFFAOYSA-N
MW471.50 g/mol
LogP4.91
Rot. Bonds4

About 8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146490613) has the molecular formula C24H15F2N7S and a molecular weight of 471.50 g/mol. Its IUPAC name is 8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146490613
Molecular FormulaC24H15F2N7S
Molecular Weight471.50 g/mol
Exact Mass471.11
IUPAC Name8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2ccc(F)cc2)c(-c2ccc3ncsc3c2)c2nc(Cc3ncccc3F)nn12
InChIInChI=1S/C24H15F2N7S/c25-15-6-3-13(4-7-15)22-21(14-5-8-17-19(10-14)34-12-29-17)23-30-20(32-33(23)24(27)31-22)11-18-16(26)2-1-9-28-18/h1-10,12H,11H2,(H2,27,31)
InChIKeyCFTJBHKEKGBEOW-UHFFFAOYSA-N
XLogP4.91
TPSA94.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-Amino-1,3-Benzothiazol-6-Yl)-1-{[2-(4-Methylpiperazin-1-Yl)quinolin-3-Yl]methyl}-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 44475990
1-[1-({4-[3-phenyl-5-(1,3-thiazol-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24971394
2-Pyrazolo[1,5-a]pyrimidin-3-yl-1,3-benzothiazole
CID 156010635
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474437
2-[Phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]thiazole
CID 3011483
6-(5-amino-1-ethyl-3-(2-fluorophenyl)-1H-pyrazol-4-yl)-N-(R)-sec-butylbenzo[d]thiazol-2-amine
CID 15987405
1-(2-Fluorobenzyl)-4-(2-thiazolyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
CID 22015509
2-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)benzo[d]thiazol-5-amine
CID 24815998
N2-(4-(benzo[d]thiazol-2-yl)phenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 44564787
N2-(3-(benzo[d]thiazol-2-yl)phenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 44565013
N-[(3-fluorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70695370
US20230303553, Example 13
CID 169073898

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146490613) is 8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Nc1nc(-c2ccc(F)cc2)c(-c2ccc3ncsc3c2)c2nc(Cc3ncccc3F)nn12.
What is the InChIKey of 8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is CFTJBHKEKGBEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2N7S/c25-15-6-3-13(4-7-15)22-21(14-5-8-17-19(10-14)34-12-29-17)23-30-20(32-33(23)24(27)31-22)11-18-16(26)2-1-9-28-18/h1-10,12H,11H2,(H2,27,31).
What are the key properties of 8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 471.50 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146490613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).