7-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-3-methylquinazolin-4-one

C19H20N6OS — CID 126896970

IUPAC7-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-3-methylquinazolin-4-one
SMILESCn1cnc2cc(N3CCN(Cc4cn5ccsc5n4)CC3)ccc2c1=O
InChIInChI=1S/C19H20N6OS/c1-22-13-20-17-10-15(2-3-16(17)18(22)26)24-6-4-23(5-7-24)11-14-12-25-8-9-27-19(25)21-14/h2-3,8-10,12-13H,4-7,11H2,1H3
InChIKeyXPGMNEBWQVHESN-UHFFFAOYSA-N
MW380.48 g/mol
LogP1.96
Rot. Bonds3

About 7-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-3-methylquinazolin-4-one

7-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-3-methylquinazolin-4-one (PubChem CID 126896970) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is 7-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name7-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-3-methylquinazolin-4-one
PubChem CID126896970
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC Name7-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-3-methylquinazolin-4-one
SMILESCn1cnc2cc(N3CCN(Cc4cn5ccsc5n4)CC3)ccc2c1=O
InChIInChI=1S/C19H20N6OS/c1-22-13-20-17-10-15(2-3-16(17)18(22)26)24-6-4-23(5-7-24)11-14-12-25-8-9-27-19(25)21-14/h2-3,8-10,12-13H,4-7,11H2,1H3
InChIKeyXPGMNEBWQVHESN-UHFFFAOYSA-N
XLogP1.96
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-3-methylquinazolin-4-one with MolForge

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Related Compounds

3-methyl-7-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126896972
6-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
CID 126895765
3-methyl-7-[4-(1,2-thiazol-4-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126897067
3-methyl-7-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126896977
7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896910
7-[4-[(4-methyl-5-oxopyrazin-2-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897425
7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896886
3-methyl-7-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 126896954
7-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896880
3-methyl-7-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897138
3-(2-hydroxyethyl)-7-[4-[(1-methyl-6-oxopyridazin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898729
3-(2-hydroxyethyl)-7-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898756

Frequently Asked Questions

What is the IUPAC name of 7-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-3-methylquinazolin-4-one?
The IUPAC name of 7-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-3-methylquinazolin-4-one (CID 126896970) is 7-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-3-methylquinazolin-4-one.
What is the SMILES notation for 7-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-3-methylquinazolin-4-one?
The canonical SMILES for 7-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-3-methylquinazolin-4-one is Cn1cnc2cc(N3CCN(Cc4cn5ccsc5n4)CC3)ccc2c1=O.
What is the InChIKey of 7-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-3-methylquinazolin-4-one?
The InChIKey is XPGMNEBWQVHESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS/c1-22-13-20-17-10-15(2-3-16(17)18(22)26)24-6-4-23(5-7-24)11-14-12-25-8-9-27-19(25)21-14/h2-3,8-10,12-13H,4-7,11H2,1H3.
What are the key properties of 7-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-3-methylquinazolin-4-one?
7-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-3-methylquinazolin-4-one has a molecular weight of 380.48 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-3-methylquinazolin-4-one is sourced from PubChem (CID 126896970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).