(3-methyl-1,2-oxazol-5-yl)-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazin-1-yl]methanone

C17H15F3N4O2S — CID 133319033

IUPAC(3-methyl-1,2-oxazol-5-yl)-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3nc4cc(C(F)(F)F)ccc4s3)CC2)on1
InChIInChI=1S/C17H15F3N4O2S/c1-10-8-13(26-22-10)15(25)23-4-6-24(7-5-23)16-21-12-9-11(17(18,19)20)2-3-14(12)27-16/h2-3,8-9H,4-7H2,1H3
InChIKeyBTQHWALOSJJPSA-UHFFFAOYSA-N
MW396.39 g/mol
LogP3.57
Rot. Bonds2

About (3-methyl-1,2-oxazol-5-yl)-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazin-1-yl]methanone

(3-methyl-1,2-oxazol-5-yl)-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazin-1-yl]methanone (PubChem CID 133319033) has the molecular formula C17H15F3N4O2S and a molecular weight of 396.39 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazin-1-yl]methanone
PubChem CID133319033
Molecular FormulaC17H15F3N4O2S
Molecular Weight396.39 g/mol
Exact Mass396.09
IUPAC Name(3-methyl-1,2-oxazol-5-yl)-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3nc4cc(C(F)(F)F)ccc4s3)CC2)on1
InChIInChI=1S/C17H15F3N4O2S/c1-10-8-13(26-22-10)15(25)23-4-6-24(7-5-23)16-21-12-9-11(17(18,19)20)2-3-14(12)27-16/h2-3,8-9H,4-7H2,1H3
InChIKeyBTQHWALOSJJPSA-UHFFFAOYSA-N
XLogP3.57
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methyl-1,2-oxazol-5-yl)-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 16879946
N-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetamide
CID 71996631
[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 7615282
[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 16879932
1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,4,7-triazecan-8-one
CID 154786908
4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide
CID 86869124
(4-tert-butylphenyl)-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 16874785
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 70738719
cyclopropyl-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholin-2-yl]methanone
CID 86797984
methyl 2-hydroxy-2-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetate
CID 133398933
[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 133456473
ethyl 3-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxylate
CID 133387200

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazin-1-yl]methanone (CID 133319033) is (3-methyl-1,2-oxazol-5-yl)-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(c3nc4cc(C(F)(F)F)ccc4s3)CC2)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazin-1-yl]methanone?
The InChIKey is BTQHWALOSJJPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2S/c1-10-8-13(26-22-10)15(25)23-4-6-24(7-5-23)16-21-12-9-11(17(18,19)20)2-3-14(12)27-16/h2-3,8-9H,4-7H2,1H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazin-1-yl]methanone?
(3-methyl-1,2-oxazol-5-yl)-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 396.39 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 133319033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).