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

C13H17N5S — CID 31537210

IUPAC2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole
SMILESCc1cc(C)nc(N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C13H17N5S/c1-10-9-11(2)16-12(15-10)17-4-6-18(7-5-17)13-14-3-8-19-13/h3,8-9H,4-7H2,1-2H3
InChIKeyJANTXXVNTRSBEF-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.88
Rot. Bonds2

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

2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole (PubChem CID 31537210) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole
PubChem CID31537210
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole
SMILESCc1cc(C)nc(N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C13H17N5S/c1-10-9-11(2)16-12(15-10)17-4-6-18(7-5-17)13-14-3-8-19-13/h3,8-9H,4-7H2,1-2H3
InChIKeyJANTXXVNTRSBEF-UHFFFAOYSA-N
XLogP1.88
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-5,7-dimethyl-imidazo[1,2-a]pyrimidine
CID 915816
4-(1,3-Thiazol-2-yl)pyrimidin-2-amine
CID 4131872
2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-N-thiazol-2-yl-acetamide
CID 691775
Thiazolo(3,2-a)pyrimidin-4-ium, 5,7-dimethyl-, perchlorate
CID 206750
Ethanamine, N,N-dimethyl-2-((4-(2-thiazolyl)-2-pyrimidinyl)thio)-
CID 452514
1,2-Ethanediamine, N,N-dimethyl-N'-(4-(2-thiazolyl)-2-pyrimidinyl)-
CID 452515
2-Amino-6-(thiazol-2-yl)-4-(trifluoromethyl)pyrimidine
CID 2823377
4-Methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 31981427
2-[6-[4-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]ethanamine
CID 45174622
N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 72874851
N-Methyl-N-[(2-methyl-1,3-thiazol-4-YL)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 72880410
2-[(4-Methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)methyl]-1,3-thiazole
CID 97515927

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole (CID 31537210) is 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole is Cc1cc(C)nc(N2CCN(c3nccs3)CC2)n1.
What is the InChIKey of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is JANTXXVNTRSBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-10-9-11(2)16-12(15-10)17-4-6-18(7-5-17)13-14-3-8-19-13/h3,8-9H,4-7H2,1-2H3.
What are the key properties of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole?
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 275.38 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 31537210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).