4-[2-(3,4-difluorophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine

C20H17F2N3OS — CID 123536502

IUPAC4-[2-(3,4-difluorophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine
SMILESFc1ccc(Oc2ccccc2-c2csc(NC3=NCCCC3)n2)cc1F
InChIInChI=1S/C20H17F2N3OS/c21-15-9-8-13(11-16(15)22)26-18-6-2-1-5-14(18)17-12-27-20(24-17)25-19-7-3-4-10-23-19/h1-2,5-6,8-9,11-12H,3-4,7,10H2,(H,23,24,25)
InChIKeyYPEKKGNMVATDFK-UHFFFAOYSA-N
MW385.44 g/mol
LogP5.87
Rot. Bonds4

About 4-[2-(3,4-difluorophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine

4-[2-(3,4-difluorophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine (PubChem CID 123536502) has the molecular formula C20H17F2N3OS and a molecular weight of 385.44 g/mol. Its IUPAC name is 4-[2-(3,4-difluorophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(3,4-difluorophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine
PubChem CID123536502
Molecular FormulaC20H17F2N3OS
Molecular Weight385.44 g/mol
Exact Mass385.11
IUPAC Name4-[2-(3,4-difluorophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine
SMILESFc1ccc(Oc2ccccc2-c2csc(NC3=NCCCC3)n2)cc1F
InChIInChI=1S/C20H17F2N3OS/c21-15-9-8-13(11-16(15)22)26-18-6-2-1-5-14(18)17-12-27-20(24-17)25-19-7-3-4-10-23-19/h1-2,5-6,8-9,11-12H,3-4,7,10H2,(H,23,24,25)
InChIKeyYPEKKGNMVATDFK-UHFFFAOYSA-N
XLogP5.87
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.44
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(3,4-difluorophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-[2-(3-bromophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine
CID 123668544
4-(2-chloro-3-pyridinyl)-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine
CID 87196759
4-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine;hydrobromide
CID 171109534
4-[4-(difluoromethoxy)phenyl]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine
CID 34883745
4-(3-methoxyphenyl)-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine
CID 123700525
4-[2-(2,4-dimethylphenoxy)phenyl]-N-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)-1,3-thiazol-2-amine
CID 132601874
4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962541
1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine
CID 2311698
4-[6-(2,5-difluorophenyl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104153
4-(2-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 4806347
4-(2-chlorophenyl)-N-(3-phenoxyphenyl)-1,3-thiazol-2-amine
CID 58791971
N-(5-chloro-2-phenoxyphenyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 2101081

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-difluorophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(3,4-difluorophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine (CID 123536502) is 4-[2-(3,4-difluorophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(3,4-difluorophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(3,4-difluorophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine is Fc1ccc(Oc2ccccc2-c2csc(NC3=NCCCC3)n2)cc1F.
What is the InChIKey of 4-[2-(3,4-difluorophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine?
The InChIKey is YPEKKGNMVATDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3OS/c21-15-9-8-13(11-16(15)22)26-18-6-2-1-5-14(18)17-12-27-20(24-17)25-19-7-3-4-10-23-19/h1-2,5-6,8-9,11-12H,3-4,7,10H2,(H,23,24,25).
What are the key properties of 4-[2-(3,4-difluorophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine?
4-[2-(3,4-difluorophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine has a molecular weight of 385.44 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-difluorophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 123536502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).