N-[4-(pyridin-4-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

C19H15N5OS — CID 44565736

IUPACN-[4-(pyridin-4-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESc1cc(COc2ccc(Nc3nccc(-c4nccs4)n3)cc2)ccn1
InChIInChI=1S/C19H15N5OS/c1-3-16(25-13-14-5-8-20-9-6-14)4-2-15(1)23-19-22-10-7-17(24-19)18-21-11-12-26-18/h1-12H,13H2,(H,22,23,24)
InChIKeyADFPRULIUQMSGJ-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.32
Rot. Bonds6

About N-[4-(pyridin-4-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

N-[4-(pyridin-4-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 44565736) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is N-[4-(pyridin-4-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(pyridin-4-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID44565736
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC NameN-[4-(pyridin-4-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESc1cc(COc2ccc(Nc3nccc(-c4nccs4)n3)cc2)ccn1
InChIInChI=1S/C19H15N5OS/c1-3-16(25-13-14-5-8-20-9-6-14)4-2-15(1)23-19-22-10-7-17(24-19)18-21-11-12-26-18/h1-12H,13H2,(H,22,23,24)
InChIKeyADFPRULIUQMSGJ-UHFFFAOYSA-N
XLogP4.32
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Mbx-2982
CID 25025505
JK184
CID 1069686
5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine
CID 71460938
2-(4-methoxyphenyl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
CID 44454941
(4-Ethoxy-phenyl)-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 869831
4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 2877432
N-(4-Methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)thiazol-2-amine hydrobromide
CID 2877597
N-(3-(pyridin-3-yloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 9902848
N-(3-(benzyloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 9925060
N-(4-(benzyloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 9968856
N-(3-phenoxyphenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 10291291
(6-Methoxy-pyridin-3-yl)-(2-methyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-8-yl)-amine
CID 11381775

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-4-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-[4-(pyridin-4-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (CID 44565736) is N-[4-(pyridin-4-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[4-(pyridin-4-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-[4-(pyridin-4-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is c1cc(COc2ccc(Nc3nccc(-c4nccs4)n3)cc2)ccn1.
What is the InChIKey of N-[4-(pyridin-4-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is ADFPRULIUQMSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS/c1-3-16(25-13-14-5-8-20-9-6-14)4-2-15(1)23-19-22-10-7-17(24-19)18-21-11-12-26-18/h1-12H,13H2,(H,22,23,24).
What are the key properties of N-[4-(pyridin-4-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
N-[4-(pyridin-4-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 361.43 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-4-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 44565736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).