4-[6-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine

C21H24N6OS — CID 145104830

IUPAC4-[6-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(CN(C)c2cccc(-c3csc(NC4=NCCCN4)n3)n2)cc1
InChIInChI=1S/C21H24N6OS/c1-27(13-15-7-9-16(28-2)10-8-15)19-6-3-5-17(24-19)18-14-29-21(25-18)26-20-22-11-4-12-23-20/h3,5-10,14H,4,11-13H2,1-2H3,(H2,22,23,25,26)
InChIKeyNZJQCYFLFRHGJI-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.61
Rot. Bonds6

About 4-[6-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine

4-[6-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 145104830) has the molecular formula C21H24N6OS and a molecular weight of 408.53 g/mol. Its IUPAC name is 4-[6-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[6-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID145104830
Molecular FormulaC21H24N6OS
Molecular Weight408.53 g/mol
Exact Mass408.17
IUPAC Name4-[6-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(CN(C)c2cccc(-c3csc(NC4=NCCCN4)n3)n2)cc1
InChIInChI=1S/C21H24N6OS/c1-27(13-15-7-9-16(28-2)10-8-15)19-6-3-5-17(24-19)18-14-29-21(25-18)26-20-22-11-4-12-23-20/h3,5-10,14H,4,11-13H2,1-2H3,(H2,22,23,25,26)
InChIKeyNZJQCYFLFRHGJI-UHFFFAOYSA-N
XLogP3.61
TPSA74.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[6-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (CID 145104830) is 4-[6-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[6-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[6-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is COc1ccc(CN(C)c2cccc(-c3csc(NC4=NCCCN4)n3)n2)cc1.
What is the InChIKey of 4-[6-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is NZJQCYFLFRHGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6OS/c1-27(13-15-7-9-16(28-2)10-8-15)19-6-3-5-17(24-19)18-14-29-21(25-18)26-20-22-11-4-12-23-20/h3,5-10,14H,4,11-13H2,1-2H3,(H2,22,23,25,26).
What are the key properties of 4-[6-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
4-[6-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 408.53 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 145104830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).