5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine

C21H22N8S — CID 15979519

IUPAC5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCn1cc(-c2cncc(-c3cnc(Nc4cc(N5CCNCC5)ccn4)s3)c2)cn1
InChIInChI=1S/C21H22N8S/c1-28-14-17(12-26-28)15-8-16(11-23-10-15)19-13-25-21(30-19)27-20-9-18(2-3-24-20)29-6-4-22-5-7-29/h2-3,8-14,22H,4-7H2,1H3,(H,24,25,27)
InChIKeyRMPTVZJLQIMWDN-UHFFFAOYSA-N
MW418.53 g/mol
LogP3.15
Rot. Bonds5

About 5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine

5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 15979519) has the molecular formula C21H22N8S and a molecular weight of 418.53 g/mol. Its IUPAC name is 5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID15979519
Molecular FormulaC21H22N8S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC Name5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCn1cc(-c2cncc(-c3cnc(Nc4cc(N5CCNCC5)ccn4)s3)c2)cn1
InChIInChI=1S/C21H22N8S/c1-28-14-17(12-26-28)15-8-16(11-23-10-15)19-13-25-21(30-19)27-20-9-18(2-3-24-20)29-6-4-22-5-7-29/h2-3,8-14,22H,4-7H2,1H3,(H,24,25,27)
InChIKeyRMPTVZJLQIMWDN-UHFFFAOYSA-N
XLogP3.15
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine (CID 15979519) is 5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine is Cn1cc(-c2cncc(-c3cnc(Nc4cc(N5CCNCC5)ccn4)s3)c2)cn1.
What is the InChIKey of 5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is RMPTVZJLQIMWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8S/c1-28-14-17(12-26-28)15-8-16(11-23-10-15)19-13-25-21(30-19)27-20-9-18(2-3-24-20)29-6-4-22-5-7-29/h2-3,8-14,22H,4-7H2,1H3,(H,24,25,27).
What are the key properties of 5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?
5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 418.53 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 15979519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).