6-[(E)-2-[2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethenyl]-1,3-benzothiazol-2-amine

C22H24N8S2 — CID 89362299

IUPAC6-[(E)-2-[2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethenyl]-1,3-benzothiazol-2-amine
SMILESCc1nc(Nc2ncc(/C=C/c3ccc4nc(N)sc4c3)s2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C22H24N8S2/c1-14-25-19(12-20(26-14)30-9-7-29(2)8-10-30)28-22-24-13-16(31-22)5-3-15-4-6-17-18(11-15)32-21(23)27-17/h3-6,11-13H,7-10H2,1-2H3,(H2,23,27)(H,24,25,26,28)/b5-3+
InChIKeyRNEAFZYEILOYGE-HWKANZROSA-N
MW464.62 g/mol
LogP4.10
Rot. Bonds5

About 6-[(E)-2-[2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethenyl]-1,3-benzothiazol-2-amine

6-[(E)-2-[2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethenyl]-1,3-benzothiazol-2-amine (PubChem CID 89362299) has the molecular formula C22H24N8S2 and a molecular weight of 464.62 g/mol. Its IUPAC name is 6-[(E)-2-[2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethenyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[(E)-2-[2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethenyl]-1,3-benzothiazol-2-amine
PubChem CID89362299
Molecular FormulaC22H24N8S2
Molecular Weight464.62 g/mol
Exact Mass464.16
IUPAC Name6-[(E)-2-[2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethenyl]-1,3-benzothiazol-2-amine
SMILESCc1nc(Nc2ncc(/C=C/c3ccc4nc(N)sc4c3)s2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C22H24N8S2/c1-14-25-19(12-20(26-14)30-9-7-29(2)8-10-30)28-22-24-13-16(31-22)5-3-15-4-6-17-18(11-15)32-21(23)27-17/h3-6,11-13H,7-10H2,1-2H3,(H2,23,27)(H,24,25,26,28)/b5-3+
InChIKeyRNEAFZYEILOYGE-HWKANZROSA-N
XLogP4.10
TPSA96.09 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.62
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[(E)-2-[2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethenyl]-1,3-benzothiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-[2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethenyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[(E)-2-[2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethenyl]-1,3-benzothiazol-2-amine (CID 89362299) is 6-[(E)-2-[2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethenyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[(E)-2-[2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethenyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[(E)-2-[2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethenyl]-1,3-benzothiazol-2-amine is Cc1nc(Nc2ncc(/C=C/c3ccc4nc(N)sc4c3)s2)cc(N2CCN(C)CC2)n1.
What is the InChIKey of 6-[(E)-2-[2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethenyl]-1,3-benzothiazol-2-amine?
The InChIKey is RNEAFZYEILOYGE-HWKANZROSA-N. The full InChI is InChI=1S/C22H24N8S2/c1-14-25-19(12-20(26-14)30-9-7-29(2)8-10-30)28-22-24-13-16(31-22)5-3-15-4-6-17-18(11-15)32-21(23)27-17/h3-6,11-13H,7-10H2,1-2H3,(H2,23,27)(H,24,25,26,28)/b5-3+.
What are the key properties of 6-[(E)-2-[2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethenyl]-1,3-benzothiazol-2-amine?
6-[(E)-2-[2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethenyl]-1,3-benzothiazol-2-amine has a molecular weight of 464.62 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-[2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethenyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 89362299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).