6-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine

C20H23N7S — CID 126895765

IUPAC6-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
SMILESCN(C)c1ncnc2ccc(N3CCN(Cc4cn5ccsc5n4)CC3)cc12
InChIInChI=1S/C20H23N7S/c1-24(2)19-17-11-16(3-4-18(17)21-14-22-19)26-7-5-25(6-8-26)12-15-13-27-9-10-28-20(27)23-15/h3-4,9-11,13-14H,5-8,12H2,1-2H3
InChIKeyYVYBAWJXXCUSCS-UHFFFAOYSA-N
MW393.52 g/mol
LogP2.73
Rot. Bonds4

About 6-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine

6-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine (PubChem CID 126895765) has the molecular formula C20H23N7S and a molecular weight of 393.52 g/mol. Its IUPAC name is 6-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name6-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
PubChem CID126895765
Molecular FormulaC20H23N7S
Molecular Weight393.52 g/mol
Exact Mass393.17
IUPAC Name6-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
SMILESCN(C)c1ncnc2ccc(N3CCN(Cc4cn5ccsc5n4)CC3)cc12
InChIInChI=1S/C20H23N7S/c1-24(2)19-17-11-16(3-4-18(17)21-14-22-19)26-7-5-25(6-8-26)12-15-13-27-9-10-28-20(27)23-15/h3-4,9-11,13-14H,5-8,12H2,1-2H3
InChIKeyYVYBAWJXXCUSCS-UHFFFAOYSA-N
XLogP2.73
TPSA52.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine with MolForge

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Related Compounds

7-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896970
3-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
CID 126895764
N,N-dimethyl-6-[4-[(5-methyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895844
6-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
CID 126895778
N,N-dimethyl-6-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895850
4-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]-2-methylpyridazin-3-one
CID 126895783
6-[4-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
CID 126895865
N,N-dimethyl-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-amine
CID 126895716
N,N-dimethyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-amine
CID 126895928
1-[2-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]pyrrolidin-1-yl]ethanone
CID 126895881
N,N-dimethyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]quinazolin-4-amine
CID 126895705
1-[2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]ethyl]azepan-2-one
CID 126895890

Frequently Asked Questions

What is the IUPAC name of 6-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine?
The IUPAC name of 6-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine (CID 126895765) is 6-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine.
What is the SMILES notation for 6-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine?
The canonical SMILES for 6-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine is CN(C)c1ncnc2ccc(N3CCN(Cc4cn5ccsc5n4)CC3)cc12.
What is the InChIKey of 6-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine?
The InChIKey is YVYBAWJXXCUSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7S/c1-24(2)19-17-11-16(3-4-18(17)21-14-22-19)26-7-5-25(6-8-26)12-15-13-27-9-10-28-20(27)23-15/h3-4,9-11,13-14H,5-8,12H2,1-2H3.
What are the key properties of 6-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine?
6-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine has a molecular weight of 393.52 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]-N,N-dimethylquinazolin-4-amine is sourced from PubChem (CID 126895765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).