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

C14H17N5OS — CID 95828779

IUPAC[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1cc(C)nc(N2CCN(C(=O)c3cscn3)CC2)n1
InChIInChI=1S/C14H17N5OS/c1-10-7-11(2)17-14(16-10)19-5-3-18(4-6-19)13(20)12-8-21-9-15-12/h7-9H,3-6H2,1-2H3
InChIKeyAMFBEQQFPIDOFB-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.51
Rot. Bonds2

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

[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 95828779) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID95828779
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1cc(C)nc(N2CCN(C(=O)c3cscn3)CC2)n1
InChIInChI=1S/C14H17N5OS/c1-10-7-11(2)17-14(16-10)19-5-3-18(4-6-19)13(20)12-8-21-9-15-12/h7-9H,3-6H2,1-2H3
InChIKeyAMFBEQQFPIDOFB-UHFFFAOYSA-N
XLogP1.51
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

bis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 150598584
[4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63038242
ethyl 4-(1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
CID 55143433
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 146086584
cyclopropyl-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 63049768
2-ethyl-1-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]butan-1-one
CID 110646105
azepan-1-yl-[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109332175
[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63037207
(2-fluorophenyl)-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 110646109
(3,5-dimethylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63038082

Frequently Asked Questions

What is the IUPAC name of [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 95828779) is [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone is Cc1cc(C)nc(N2CCN(C(=O)c3cscn3)CC2)n1.
What is the InChIKey of [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is AMFBEQQFPIDOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-10-7-11(2)17-14(16-10)19-5-3-18(4-6-19)13(20)12-8-21-9-15-12/h7-9H,3-6H2,1-2H3.
What are the key properties of [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 303.39 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 95828779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).