2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole

C16H18N4OS — CID 24632141

IUPAC2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole
SMILESCc1nc(CN2CCN(c3nc4ccccc4o3)CC2)cs1
InChIInChI=1S/C16H18N4OS/c1-12-17-13(11-22-12)10-19-6-8-20(9-7-19)16-18-14-4-2-3-5-15(14)21-16/h2-5,11H,6-10H2,1H3
InChIKeyBBXDBDMWFNCKKB-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.91
Rot. Bonds3

About 2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole

2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole (PubChem CID 24632141) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole
PubChem CID24632141
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole
SMILESCc1nc(CN2CCN(c3nc4ccccc4o3)CC2)cs1
InChIInChI=1S/C16H18N4OS/c1-12-17-13(11-22-12)10-19-6-8-20(9-7-19)16-18-14-4-2-3-5-15(14)21-16/h2-5,11H,6-10H2,1H3
InChIKeyBBXDBDMWFNCKKB-UHFFFAOYSA-N
XLogP2.91
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 171701082
2-(4-propylpiperazin-1-yl)-1,3-benzoxazole
CID 11395660
2-methyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)-1,3-thiazole
CID 157011120
2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 131923933
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 154828993
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326
2-methyl-4-[[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 26033714
7-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42939448
2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 126770624
3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171997329

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole (CID 24632141) is 2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole is Cc1nc(CN2CCN(c3nc4ccccc4o3)CC2)cs1.
What is the InChIKey of 2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole?
The InChIKey is BBXDBDMWFNCKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-12-17-13(11-22-12)10-19-6-8-20(9-7-19)16-18-14-4-2-3-5-15(14)21-16/h2-5,11H,6-10H2,1H3.
What are the key properties of 2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole?
2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole has a molecular weight of 314.41 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 24632141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).