4,5-dimethyl-2-(4-quinazolin-4-ylpiperazin-1-yl)-1,3-thiazole

C17H19N5S — CID 133391255

IUPAC4,5-dimethyl-2-(4-quinazolin-4-ylpiperazin-1-yl)-1,3-thiazole
SMILESCc1nc(N2CCN(c3ncnc4ccccc34)CC2)sc1C
InChIInChI=1S/C17H19N5S/c1-12-13(2)23-17(20-12)22-9-7-21(8-10-22)16-14-5-3-4-6-15(14)18-11-19-16/h3-6,11H,7-10H2,1-2H3
InChIKeyKUVCKPCUZRJLLH-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.03
Rot. Bonds2

About 4,5-dimethyl-2-(4-quinazolin-4-ylpiperazin-1-yl)-1,3-thiazole

4,5-dimethyl-2-(4-quinazolin-4-ylpiperazin-1-yl)-1,3-thiazole (PubChem CID 133391255) has the molecular formula C17H19N5S and a molecular weight of 325.44 g/mol. Its IUPAC name is 4,5-dimethyl-2-(4-quinazolin-4-ylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(4-quinazolin-4-ylpiperazin-1-yl)-1,3-thiazole
PubChem CID133391255
Molecular FormulaC17H19N5S
Molecular Weight325.44 g/mol
Exact Mass325.14
IUPAC Name4,5-dimethyl-2-(4-quinazolin-4-ylpiperazin-1-yl)-1,3-thiazole
SMILESCc1nc(N2CCN(c3ncnc4ccccc34)CC2)sc1C
InChIInChI=1S/C17H19N5S/c1-12-13(2)23-17(20-12)22-9-7-21(8-10-22)16-14-5-3-4-6-15(14)18-11-19-16/h3-6,11H,7-10H2,1-2H3
InChIKeyKUVCKPCUZRJLLH-UHFFFAOYSA-N
XLogP3.03
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dimethyl-2-[4-(3-methylquinolin-2-yl)piperazin-1-yl]-1,3-thiazole
CID 133391264
4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 171335410
4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]quinazoline
CID 123289394
4-(azepan-1-yl)quinazoline
CID 5207391
2-(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)-1,3-benzothiazole
CID 155975559
2-[4-(5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-benzothiazole
CID 163344643
4,5-dimethyl-2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 86891071
4-[4-(azetidin-3-yl)piperazin-1-yl]quinazoline
CID 66202594
4-[4-(9-methylpurin-6-yl)piperazin-1-yl]quinazoline
CID 154853696
4-(4-benzhydrylpiperazin-1-yl)quinazoline
CID 1413844
4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]quinazoline
CID 154882816
12-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
CID 133391291

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(4-quinazolin-4-ylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-(4-quinazolin-4-ylpiperazin-1-yl)-1,3-thiazole (CID 133391255) is 4,5-dimethyl-2-(4-quinazolin-4-ylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-(4-quinazolin-4-ylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-(4-quinazolin-4-ylpiperazin-1-yl)-1,3-thiazole is Cc1nc(N2CCN(c3ncnc4ccccc34)CC2)sc1C.
What is the InChIKey of 4,5-dimethyl-2-(4-quinazolin-4-ylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is KUVCKPCUZRJLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5S/c1-12-13(2)23-17(20-12)22-9-7-21(8-10-22)16-14-5-3-4-6-15(14)18-11-19-16/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-(4-quinazolin-4-ylpiperazin-1-yl)-1,3-thiazole?
4,5-dimethyl-2-(4-quinazolin-4-ylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 325.44 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(4-quinazolin-4-ylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 133391255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).