4-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole

C16H18N4OS — CID 70714787

IUPAC4-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(CN2CCN(c3nc4ccccc4s3)CC2)co1
InChIInChI=1S/C16H18N4OS/c1-12-17-13(11-21-12)10-19-6-8-20(9-7-19)16-18-14-4-2-3-5-15(14)22-16/h2-5,11H,6-10H2,1H3
InChIKeyXBKZBSNYRKUQLR-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.91
Rot. Bonds3

About 4-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole

4-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole (PubChem CID 70714787) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole
PubChem CID70714787
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name4-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(CN2CCN(c3nc4ccccc4s3)CC2)co1
InChIInChI=1S/C16H18N4OS/c1-12-17-13(11-21-12)10-19-6-8-20(9-7-19)16-18-14-4-2-3-5-15(14)22-16/h2-5,11H,6-10H2,1H3
InChIKeyXBKZBSNYRKUQLR-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

8-(1,3-Benzothiazol-2-YL)-1-[(2-methyl-1,3-oxazol-4-YL)methyl]-1,8-diazaspiro[4.5]decane
CID 70744935
N-(1,3-benzothiazol-2-ylmethyl)-N,2,5-trimethyl[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 72844013
N-(1,3-benzothiazol-2-ylmethyl)-8-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-3-amine
CID 175680003
2-(Benzo[d]thiazol-2-yl)-4-methyloxazole
CID 13331900
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-fluoro-1,3-benzothiazol-2-amine
CID 106375181
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 106375196
1-ethyl-2-methyl-3-[4-[6-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-pyridinyl]-1,3-thiazol-2-yl]guanidine
CID 145104904
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-oxazol-2-yl)acetamide
CID 8991129
N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide
CID 18583007
2-{4-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]-1,4-diazepan-1-yl}-1,3-benzothiazole
CID 28099628
5-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-2-ethyl-1,3-oxazole-4-carbonitrile
CID 34925239
5-[4-[2-(1,3-Benzothiazol-2-ylsulfanyl)acetyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile
CID 38745293

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole?
The IUPAC name of 4-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole (CID 70714787) is 4-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 4-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole is Cc1nc(CN2CCN(c3nc4ccccc4s3)CC2)co1.
What is the InChIKey of 4-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole?
The InChIKey is XBKZBSNYRKUQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-12-17-13(11-21-12)10-19-6-8-20(9-7-19)16-18-14-4-2-3-5-15(14)22-16/h2-5,11H,6-10H2,1H3.
What are the key properties of 4-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole?
4-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole 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 4-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 70714787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).