N-(4-fluorophenyl)-4-phenyl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyrimidin-5-yl-1,3-thiazol-2-amine

C42H30F3N9S3 — CID 158575192

IUPACN-(4-fluorophenyl)-4-phenyl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyrimidin-5-yl-1,3-thiazol-2-amine
SMILESFc1ccc(Nc2nc(-c3ccccc3)cs2)cc1.Fc1ccc(Nc2nc(-c3cccnc3)cs2)cc1.Fc1ccc(Nc2nc(-c3cncnc3)cs2)cc1
InChIInChI=1S/C15H11FN2S.C14H10FN3S.C13H9FN4S/c16-12-6-8-13(9-7-12)17-15-18-14(10-19-15)11-4-2-1-3-5-11;15-11-3-5-12(6-4-11)17-14-18-13(9-19-14)10-2-1-7-16-8-10;14-10-1-3-11(4-2-10)17-13-18-12(7-19-13)9-5-15-8-16-6-9/h1-10H,(H,17,18);1-9H,(H,17,18);1-8H,(H,17,18)
InChIKeyHSONOQSNUYKKIN-UHFFFAOYSA-N
MW813.96 g/mol
LogP12.26
Rot. Bonds9

About N-(4-fluorophenyl)-4-phenyl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyrimidin-5-yl-1,3-thiazol-2-amine

N-(4-fluorophenyl)-4-phenyl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyrimidin-5-yl-1,3-thiazol-2-amine (PubChem CID 158575192) has the molecular formula C42H30F3N9S3 and a molecular weight of 813.96 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-phenyl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyrimidin-5-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-phenyl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyrimidin-5-yl-1,3-thiazol-2-amine
PubChem CID158575192
Molecular FormulaC42H30F3N9S3
Molecular Weight813.96 g/mol
Exact Mass813.17
IUPAC NameN-(4-fluorophenyl)-4-phenyl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyrimidin-5-yl-1,3-thiazol-2-amine
SMILESFc1ccc(Nc2nc(-c3ccccc3)cs2)cc1.Fc1ccc(Nc2nc(-c3cccnc3)cs2)cc1.Fc1ccc(Nc2nc(-c3cncnc3)cs2)cc1
InChIInChI=1S/C15H11FN2S.C14H10FN3S.C13H9FN4S/c16-12-6-8-13(9-7-12)17-15-18-14(10-19-15)11-4-2-1-3-5-11;15-11-3-5-12(6-4-11)17-14-18-13(9-19-14)10-2-1-7-16-8-10;14-10-1-3-11(4-2-10)17-13-18-12(7-19-13)9-5-15-8-16-6-9/h1-10H,(H,17,18);1-9H,(H,17,18);1-8H,(H,17,18)
InChIKeyHSONOQSNUYKKIN-UHFFFAOYSA-N
XLogP12.26
TPSA113.43 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500813.96
LogP ≤ 512.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-(4-fluorophenyl)-4-phenyl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyrimidin-5-yl-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-[[(1R,5S)-3-[(3,5-difluorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 49862400
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 145991893
4-[[4-(2-fluorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 2573156
5-(6-(2-Fluorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-n-propylthiazol-2-amine
CID 52949868
N-pyridin-4-yl-4-[4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine;hydrobromide
CID 44533896
5-(6-(4-fluorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-N-propylthiazol-2-amine
CID 52941640
N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 155517212
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 155518294
N-(4-ethyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 155521054
4-[4-(4-fluorophenyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]-N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 155525177
4-(4-Fluorophenyl)-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 155526864
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine
CID 155528745

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-phenyl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyrimidin-5-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(4-fluorophenyl)-4-phenyl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyrimidin-5-yl-1,3-thiazol-2-amine (CID 158575192) is N-(4-fluorophenyl)-4-phenyl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyrimidin-5-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-4-phenyl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyrimidin-5-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-4-phenyl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyrimidin-5-yl-1,3-thiazol-2-amine is Fc1ccc(Nc2nc(-c3ccccc3)cs2)cc1.Fc1ccc(Nc2nc(-c3cccnc3)cs2)cc1.Fc1ccc(Nc2nc(-c3cncnc3)cs2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-phenyl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyrimidin-5-yl-1,3-thiazol-2-amine?
The InChIKey is HSONOQSNUYKKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2S.C14H10FN3S.C13H9FN4S/c16-12-6-8-13(9-7-12)17-15-18-14(10-19-15)11-4-2-1-3-5-11;15-11-3-5-12(6-4-11)17-14-18-13(9-19-14)10-2-1-7-16-8-10;14-10-1-3-11(4-2-10)17-13-18-12(7-19-13)9-5-15-8-16-6-9/h1-10H,(H,17,18);1-9H,(H,17,18);1-8H,(H,17,18).
What are the key properties of N-(4-fluorophenyl)-4-phenyl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyrimidin-5-yl-1,3-thiazol-2-amine?
N-(4-fluorophenyl)-4-phenyl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyrimidin-5-yl-1,3-thiazol-2-amine has a molecular weight of 813.96 g/mol, XLogP of 12.26, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-phenyl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine;N-(4-fluorophenyl)-4-pyrimidin-5-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 158575192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).