[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone

C16H22N6OS — CID 71914815

IUPAC[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone
SMILESCCNc1nc(C(=O)N2CCN(c3cc(C)nc(C)n3)CC2)cs1
InChIInChI=1S/C16H22N6OS/c1-4-17-16-20-13(10-24-16)15(23)22-7-5-21(6-8-22)14-9-11(2)18-12(3)19-14/h9-10H,4-8H2,1-3H3,(H,17,20)
InChIKeyFFDWHKGNVKHDTN-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.94
Rot. Bonds4

About [4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone

[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone (PubChem CID 71914815) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is [4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone
PubChem CID71914815
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone
SMILESCCNc1nc(C(=O)N2CCN(c3cc(C)nc(C)n3)CC2)cs1
InChIInChI=1S/C16H22N6OS/c1-4-17-16-20-13(10-24-16)15(23)22-7-5-21(6-8-22)14-9-11(2)18-12(3)19-14/h9-10H,4-8H2,1-3H3,(H,17,20)
InChIKeyFFDWHKGNVKHDTN-UHFFFAOYSA-N
XLogP1.94
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone (CID 71914815) is [4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone is CCNc1nc(C(=O)N2CCN(c3cc(C)nc(C)n3)CC2)cs1.
What is the InChIKey of [4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone?
The InChIKey is FFDWHKGNVKHDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-4-17-16-20-13(10-24-16)15(23)22-7-5-21(6-8-22)14-9-11(2)18-12(3)19-14/h9-10H,4-8H2,1-3H3,(H,17,20).
What are the key properties of [4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone?
[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone has a molecular weight of 346.46 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 71914815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).