N-[4-(fluoromethyl)-2-pyridinyl]-6-[2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-thiazol-5-yl]pyridin-2-amine

C29H25FN4OS — CID 71159132

IUPACN-[4-(fluoromethyl)-2-pyridinyl]-6-[2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-thiazol-5-yl]pyridin-2-amine
SMILESFCc1ccnc(Nc2cccc(-c3cnc(CCc4ccc(OCc5ccccc5)cc4)s3)n2)c1
InChIInChI=1S/C29H25FN4OS/c30-18-23-15-16-31-28(17-23)34-27-8-4-7-25(33-27)26-19-32-29(36-26)14-11-21-9-12-24(13-10-21)35-20-22-5-2-1-3-6-22/h1-10,12-13,15-17,19H,11,14,18,20H2,(H,31,33,34)
InChIKeyPXYBLDZMIXSKIF-UHFFFAOYSA-N
MW496.61 g/mol
LogP7.18
Rot. Bonds10

About N-[4-(fluoromethyl)-2-pyridinyl]-6-[2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-thiazol-5-yl]pyridin-2-amine

N-[4-(fluoromethyl)-2-pyridinyl]-6-[2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-thiazol-5-yl]pyridin-2-amine (PubChem CID 71159132) has the molecular formula C29H25FN4OS and a molecular weight of 496.61 g/mol. Its IUPAC name is N-[4-(fluoromethyl)-2-pyridinyl]-6-[2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-thiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-(fluoromethyl)-2-pyridinyl]-6-[2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-thiazol-5-yl]pyridin-2-amine
PubChem CID71159132
Molecular FormulaC29H25FN4OS
Molecular Weight496.61 g/mol
Exact Mass496.17
IUPAC NameN-[4-(fluoromethyl)-2-pyridinyl]-6-[2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-thiazol-5-yl]pyridin-2-amine
SMILESFCc1ccnc(Nc2cccc(-c3cnc(CCc4ccc(OCc5ccccc5)cc4)s3)n2)c1
InChIInChI=1S/C29H25FN4OS/c30-18-23-15-16-31-28(17-23)34-27-8-4-7-25(33-27)26-19-32-29(36-26)14-11-21-9-12-24(13-10-21)35-20-22-5-2-1-3-6-22/h1-10,12-13,15-17,19H,11,14,18,20H2,(H,31,33,34)
InChIKeyPXYBLDZMIXSKIF-UHFFFAOYSA-N
XLogP7.18
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(fluoromethyl)-2-pyridinyl]-6-[2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-thiazol-5-yl]pyridin-2-amine?
The IUPAC name of N-[4-(fluoromethyl)-2-pyridinyl]-6-[2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-thiazol-5-yl]pyridin-2-amine (CID 71159132) is N-[4-(fluoromethyl)-2-pyridinyl]-6-[2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-thiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-[4-(fluoromethyl)-2-pyridinyl]-6-[2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-thiazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-[4-(fluoromethyl)-2-pyridinyl]-6-[2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-thiazol-5-yl]pyridin-2-amine is FCc1ccnc(Nc2cccc(-c3cnc(CCc4ccc(OCc5ccccc5)cc4)s3)n2)c1.
What is the InChIKey of N-[4-(fluoromethyl)-2-pyridinyl]-6-[2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-thiazol-5-yl]pyridin-2-amine?
The InChIKey is PXYBLDZMIXSKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN4OS/c30-18-23-15-16-31-28(17-23)34-27-8-4-7-25(33-27)26-19-32-29(36-26)14-11-21-9-12-24(13-10-21)35-20-22-5-2-1-3-6-22/h1-10,12-13,15-17,19H,11,14,18,20H2,(H,31,33,34).
What are the key properties of N-[4-(fluoromethyl)-2-pyridinyl]-6-[2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-thiazol-5-yl]pyridin-2-amine?
N-[4-(fluoromethyl)-2-pyridinyl]-6-[2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-thiazol-5-yl]pyridin-2-amine has a molecular weight of 496.61 g/mol, XLogP of 7.18, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(fluoromethyl)-2-pyridinyl]-6-[2-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-thiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 71159132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).