2-[(1R)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzothiazole

C19H19F3N4S — CID 34041509

IUPAC2-[(1R)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzothiazole
SMILESC[C@H](c1nc2ccccc2s1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H19F3N4S/c1-13(18-24-15-4-2-3-5-16(15)27-18)25-8-10-26(11-9-25)17-7-6-14(12-23-17)19(20,21)22/h2-7,12-13H,8-11H2,1H3/t13-/m1/s1
InChIKeyHCPXQBCAVHACSL-CYBMUJFWSA-N
MW392.45 g/mol
LogP4.59
Rot. Bonds3

About 2-[(1R)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzothiazole

2-[(1R)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzothiazole (PubChem CID 34041509) has the molecular formula C19H19F3N4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 2-[(1R)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(1R)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzothiazole
PubChem CID34041509
Molecular FormulaC19H19F3N4S
Molecular Weight392.45 g/mol
Exact Mass392.13
IUPAC Name2-[(1R)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzothiazole
SMILESC[C@H](c1nc2ccccc2s1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H19F3N4S/c1-13(18-24-15-4-2-3-5-16(15)27-18)25-8-10-26(11-9-25)17-7-6-14(12-23-17)19(20,21)22/h2-7,12-13H,8-11H2,1H3/t13-/m1/s1
InChIKeyHCPXQBCAVHACSL-CYBMUJFWSA-N
XLogP4.59
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(1R)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 46827972
2-[(1S)-1-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 34041712
1-[(1R)-1-pyridin-3-ylethyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 52523994
3-methyl-5-[(1S)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 37139535
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90609427
1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 47110924
2-[4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 34041760
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 42887209
1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 31429971
(2S)-2-phenyl-1-pyrrolidin-1-yl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 31370609
N-[2-(trifluoromethyl)phenyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]propanamide
CID 24507173

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzothiazole?
The IUPAC name of 2-[(1R)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzothiazole (CID 34041509) is 2-[(1R)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(1R)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(1R)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzothiazole is C[C@H](c1nc2ccccc2s1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-[(1R)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzothiazole?
The InChIKey is HCPXQBCAVHACSL-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19F3N4S/c1-13(18-24-15-4-2-3-5-16(15)27-18)25-8-10-26(11-9-25)17-7-6-14(12-23-17)19(20,21)22/h2-7,12-13H,8-11H2,1H3/t13-/m1/s1.
What are the key properties of 2-[(1R)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzothiazole?
2-[(1R)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzothiazole has a molecular weight of 392.45 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzothiazole is sourced from PubChem (CID 34041509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).