2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3-thiazole

C19H21N5S — CID 126894405

IUPAC2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESc1ncc2cc(N3CCN(Cc4cnc(C5CC5)s4)CC3)ccc2n1
InChIInChI=1S/C19H21N5S/c1-2-14(1)19-21-11-17(25-19)12-23-5-7-24(8-6-23)16-3-4-18-15(9-16)10-20-13-22-18/h3-4,9-11,13-14H,1-2,5-8,12H2
InChIKeyHFTVOOSFWRUPJB-UHFFFAOYSA-N
MW351.48 g/mol
LogP3.29
Rot. Bonds4

About 2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3-thiazole

2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 126894405) has the molecular formula C19H21N5S and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID126894405
Molecular FormulaC19H21N5S
Molecular Weight351.48 g/mol
Exact Mass351.15
IUPAC Name2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESc1ncc2cc(N3CCN(Cc4cnc(C5CC5)s4)CC3)ccc2n1
InChIInChI=1S/C19H21N5S/c1-2-14(1)19-21-11-17(25-19)12-23-5-7-24(8-6-23)16-3-4-18-15(9-16)10-20-13-22-18/h3-4,9-11,13-14H,1-2,5-8,12H2
InChIKeyHFTVOOSFWRUPJB-UHFFFAOYSA-N
XLogP3.29
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
CID 126894384
6-[4-[(2-cyclobutylpyrimidin-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126894373
5-(oxan-4-yl)-3-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 126894391
6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline
CID 126894285
6-[4-(2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]quinazoline
CID 126894515
6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one
CID 126894338
4-methyl-6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]morpholin-3-one
CID 126894463
1,1,1-trifluoro-3-(4-quinazolin-6-ylpiperazin-1-yl)propan-2-ol
CID 126894549
1-methyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one
CID 126894474
2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone
CID 126894160
1-(5-methylfuran-2-yl)-2-(4-quinazolin-6-ylpiperazin-1-yl)ethanol
CID 126894524
oxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone
CID 126894159

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3-thiazole (CID 126894405) is 2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3-thiazole is c1ncc2cc(N3CCN(Cc4cnc(C5CC5)s4)CC3)ccc2n1.
What is the InChIKey of 2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is HFTVOOSFWRUPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5S/c1-2-14(1)19-21-11-17(25-19)12-23-5-7-24(8-6-23)16-3-4-18-15(9-16)10-20-13-22-18/h3-4,9-11,13-14H,1-2,5-8,12H2.
What are the key properties of 2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3-thiazole?
2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 351.48 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 126894405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).