2-methyl-4-[[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole

C23H23N5S — CID 26033714

IUPAC2-methyl-4-[[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCN(c3nc(-c4ccccc4)c4ccccc4n3)CC2)cs1
InChIInChI=1S/C23H23N5S/c1-17-24-19(16-29-17)15-27-11-13-28(14-12-27)23-25-21-10-6-5-9-20(21)22(26-23)18-7-3-2-4-8-18/h2-10,16H,11-15H2,1H3
InChIKeyGSZDRSCCTCIGQE-UHFFFAOYSA-N
MW401.54 g/mol
LogP4.38
Rot. Bonds4

About 2-methyl-4-[[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole

2-methyl-4-[[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 26033714) has the molecular formula C23H23N5S and a molecular weight of 401.54 g/mol. Its IUPAC name is 2-methyl-4-[[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID26033714
Molecular FormulaC23H23N5S
Molecular Weight401.54 g/mol
Exact Mass401.17
IUPAC Name2-methyl-4-[[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCN(c3nc(-c4ccccc4)c4ccccc4n3)CC2)cs1
InChIInChI=1S/C23H23N5S/c1-17-24-19(16-29-17)15-27-11-13-28(14-12-27)23-25-21-10-6-5-9-20(21)22(26-23)18-7-3-2-4-8-18/h2-10,16H,11-15H2,1H3
InChIKeyGSZDRSCCTCIGQE-UHFFFAOYSA-N
XLogP4.38
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 24632141
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 171701082
4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)quinazoline
CID 11267128
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 154828993
2-methyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)-1,3-thiazole
CID 157011120
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-phenylquinazoline
CID 47069164
3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171997329
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
2-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455547
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
4-[[4-(3-bromo-2-pyridinyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 166600976
2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline
CID 2862104

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole (CID 26033714) is 2-methyl-4-[[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole is Cc1nc(CN2CCN(c3nc(-c4ccccc4)c4ccccc4n3)CC2)cs1.
What is the InChIKey of 2-methyl-4-[[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is GSZDRSCCTCIGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5S/c1-17-24-19(16-29-17)15-27-11-13-28(14-12-27)23-25-21-10-6-5-9-20(21)22(26-23)18-7-3-2-4-8-18/h2-10,16H,11-15H2,1H3.
What are the key properties of 2-methyl-4-[[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
2-methyl-4-[[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 401.54 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 26033714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).