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

C17H19N7O2S2 — CID 15978893

IUPACN-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine
SMILESCS(=O)(=O)N1CCN(c2ccnc(Nc3ncc(-c4cncnc4)s3)c2)CC1
InChIInChI=1S/C17H19N7O2S2/c1-28(25,26)24-6-4-23(5-7-24)14-2-3-20-16(8-14)22-17-21-11-15(27-17)13-9-18-12-19-10-13/h2-3,8-12H,4-7H2,1H3,(H,20,21,22)
InChIKeyHISVYAJUMCBXCP-UHFFFAOYSA-N
MW417.52 g/mol
LogP1.82
Rot. Bonds5

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

N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine (PubChem CID 15978893) has the molecular formula C17H19N7O2S2 and a molecular weight of 417.52 g/mol. Its IUPAC name is N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine
PubChem CID15978893
Molecular FormulaC17H19N7O2S2
Molecular Weight417.52 g/mol
Exact Mass417.10
IUPAC NameN-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine
SMILESCS(=O)(=O)N1CCN(c2ccnc(Nc3ncc(-c4cncnc4)s3)c2)CC1
InChIInChI=1S/C17H19N7O2S2/c1-28(25,26)24-6-4-23(5-7-24)14-2-3-20-16(8-14)22-17-21-11-15(27-17)13-9-18-12-19-10-13/h2-3,8-12H,4-7H2,1H3,(H,20,21,22)
InChIKeyHISVYAJUMCBXCP-UHFFFAOYSA-N
XLogP1.82
TPSA104.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine (CID 15978893) is N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine is CS(=O)(=O)N1CCN(c2ccnc(Nc3ncc(-c4cncnc4)s3)c2)CC1.
What is the InChIKey of N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine?
The InChIKey is HISVYAJUMCBXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2S2/c1-28(25,26)24-6-4-23(5-7-24)14-2-3-20-16(8-14)22-17-21-11-15(27-17)13-9-18-12-19-10-13/h2-3,8-12H,4-7H2,1H3,(H,20,21,22).
What are the key properties of N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine?
N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine has a molecular weight of 417.52 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 15978893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).