[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C14H18N6OS — CID 27449481

IUPAC[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCNc1snc(C)c1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H18N6OS/c1-10-11(12(15-2)22-18-10)13(21)19-6-8-20(9-7-19)14-16-4-3-5-17-14/h3-5,15H,6-9H2,1-2H3
InChIKeyONTBUTBALHOSIE-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.25
Rot. Bonds3

About [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 27449481) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID27449481
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC Name[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCNc1snc(C)c1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H18N6OS/c1-10-11(12(15-2)22-18-10)13(21)19-6-8-20(9-7-19)14-16-4-3-5-17-14/h3-5,15H,6-9H2,1-2H3
InChIKeyONTBUTBALHOSIE-UHFFFAOYSA-N
XLogP1.25
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 53593883
[3-Methyl-5-(methylamino)-1,2-thiazol-4-yl]-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 53608590
(3-Imidazol-1-ylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 53613044
[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 56779735
3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 123236276
3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-propylpiperidine
CID 144895062
N,3-dimethyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;ethane
CID 144895070
1-butylpiperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 144895092
1-ethylpiperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 144895113
1-(2,2-difluoroethyl)piperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 144895115
3-Methyl-5-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 166240620
[3-Methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 32647409

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 27449481) is [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CNc1snc(C)c1C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is ONTBUTBALHOSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6OS/c1-10-11(12(15-2)22-18-10)13(21)19-6-8-20(9-7-19)14-16-4-3-5-17-14/h3-5,15H,6-9H2,1-2H3.
What are the key properties of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 318.41 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 27449481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).