4-methyl-N-phenyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine

C23H24N8S — CID 126535189

IUPAC4-methyl-N-phenyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ccccc2)sc1-c1ccnc(Nc2ccc(N3CCNCC3)cn2)n1
InChIInChI=1S/C23H24N8S/c1-16-21(32-23(27-16)28-17-5-3-2-4-6-17)19-9-10-25-22(29-19)30-20-8-7-18(15-26-20)31-13-11-24-12-14-31/h2-10,15,24H,11-14H2,1H3,(H,27,28)(H,25,26,29,30)
InChIKeyUNVBFURIHRAGGO-UHFFFAOYSA-N
MW444.57 g/mol
LogP4.20
Rot. Bonds6

About 4-methyl-N-phenyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine

4-methyl-N-phenyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 126535189) has the molecular formula C23H24N8S and a molecular weight of 444.57 g/mol. Its IUPAC name is 4-methyl-N-phenyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-phenyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID126535189
Molecular FormulaC23H24N8S
Molecular Weight444.57 g/mol
Exact Mass444.18
IUPAC Name4-methyl-N-phenyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ccccc2)sc1-c1ccnc(Nc2ccc(N3CCNCC3)cn2)n1
InChIInChI=1S/C23H24N8S/c1-16-21(32-23(27-16)28-17-5-3-2-4-6-17)19-9-10-25-22(29-19)30-20-8-7-18(15-26-20)31-13-11-24-12-14-31/h2-10,15,24H,11-14H2,1H3,(H,27,28)(H,25,26,29,30)
InChIKeyUNVBFURIHRAGGO-UHFFFAOYSA-N
XLogP4.20
TPSA90.89 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.57
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-phenyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 126535189) is 4-methyl-N-phenyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-phenyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-phenyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1nc(Nc2ccccc2)sc1-c1ccnc(Nc2ccc(N3CCNCC3)cn2)n1.
What is the InChIKey of 4-methyl-N-phenyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is UNVBFURIHRAGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8S/c1-16-21(32-23(27-16)28-17-5-3-2-4-6-17)19-9-10-25-22(29-19)30-20-8-7-18(15-26-20)31-13-11-24-12-14-31/h2-10,15,24H,11-14H2,1H3,(H,27,28)(H,25,26,29,30).
What are the key properties of 4-methyl-N-phenyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine?
4-methyl-N-phenyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 444.57 g/mol, XLogP of 4.20, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 126535189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).