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

C23H25N7OS2 — CID 145104085

IUPAC4-[2-[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Cn2nc(C)c(-c3nc(-c4csc(NC5=NCCCN5)n4)cs3)c2C)cc1
InChIInChI=1S/C23H25N7OS2/c1-14-20(15(2)30(29-14)11-16-5-7-17(31-3)8-6-16)21-26-18(12-32-21)19-13-33-23(27-19)28-22-24-9-4-10-25-22/h5-8,12-13H,4,9-11H2,1-3H3,(H2,24,25,27,28)
InChIKeyKBSNLYNOYVPCON-UHFFFAOYSA-N
MW479.64 g/mol
LogP4.57
Rot. Bonds6

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

4-[2-[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 145104085) has the molecular formula C23H25N7OS2 and a molecular weight of 479.64 g/mol. Its IUPAC name is 4-[2-[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID145104085
Molecular FormulaC23H25N7OS2
Molecular Weight479.64 g/mol
Exact Mass479.16
IUPAC Name4-[2-[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Cn2nc(C)c(-c3nc(-c4csc(NC5=NCCCN5)n4)cs3)c2C)cc1
InChIInChI=1S/C23H25N7OS2/c1-14-20(15(2)30(29-14)11-16-5-7-17(31-3)8-6-16)21-26-18(12-32-21)19-13-33-23(27-19)28-22-24-9-4-10-25-22/h5-8,12-13H,4,9-11H2,1-3H3,(H2,24,25,27,28)
InChIKeyKBSNLYNOYVPCON-UHFFFAOYSA-N
XLogP4.57
TPSA89.25 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.64
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[2-[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-[6-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104830
2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]phenol
CID 145104911
4-[2-(5,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145105105
4-[2-[3-(3-methoxypropoxy)-1-methylpyrazol-5-yl]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104942
4-[3-(4-chlorophenoxy)pyrazin-2-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104117
4-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104009
4-(4-methylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104897
4-[2-[[3-[(6-methyl-3-pyridinyl)methoxy]phenyl]methoxy]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145105183
4-[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104108
4-[6-(4-methoxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145105067
4-[2-(2-cyclopentyloxy-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104593
4-[2-[4-methyl-6-[(E)-3-methylsulfonylprop-1-enoxy]-3-pyridinyl]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104452

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (CID 145104085) is 4-[2-[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is COc1ccc(Cn2nc(C)c(-c3nc(-c4csc(NC5=NCCCN5)n4)cs3)c2C)cc1.
What is the InChIKey of 4-[2-[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is KBSNLYNOYVPCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7OS2/c1-14-20(15(2)30(29-14)11-16-5-7-17(31-3)8-6-16)21-26-18(12-32-21)19-13-33-23(27-19)28-22-24-9-4-10-25-22/h5-8,12-13H,4,9-11H2,1-3H3,(H2,24,25,27,28).
What are the key properties of 4-[2-[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
4-[2-[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 479.64 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 145104085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).