(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

C19H17ClF3N5OS — CID 10456737

IUPAC(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESC[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1C(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C19H17ClF3N5OS/c1-11-10-27(16-13(19(21,22)23)3-2-6-24-16)7-8-28(11)18(29)26-17-25-14-5-4-12(20)9-15(14)30-17/h2-6,9,11H,7-8,10H2,1H3,(H,25,26,29)/t11-/m1/s1
InChIKeyNJCJFADEBLUOKP-LLVKDONJSA-N
MW455.89 g/mol
LogP5.11
Rot. Bonds2

About (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 10456737) has the molecular formula C19H17ClF3N5OS and a molecular weight of 455.89 g/mol. Its IUPAC name is (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID10456737
Molecular FormulaC19H17ClF3N5OS
Molecular Weight455.89 g/mol
Exact Mass455.08
IUPAC Name(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESC[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1C(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C19H17ClF3N5OS/c1-11-10-27(16-13(19(21,22)23)3-2-6-24-16)7-8-28(11)18(29)26-17-25-14-5-4-12(20)9-15(14)30-17/h2-6,9,11H,7-8,10H2,1H3,(H,25,26,29)/t11-/m1/s1
InChIKeyNJCJFADEBLUOKP-LLVKDONJSA-N
XLogP5.11
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.89
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(R)-4-(6-chloro-4-methylpyridazin-3-yl)-N-(6-fluorobenzo[d]thiazol-2-yl)-2-methylpiperazine-1-carboxamide
CID 11154380
6-Chloro-2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-1,3-benzothiazole
CID 25266740
(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-4-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-2-methylpiperazine-1-carboxamide
CID 89330453
N-(tert-butyl)-4-(6-chlorobenzo[d]thiazol-2-yl)piperazine-1-carboxamide
CID 2746600
N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 7163153
(R)-4-(6-Chloro-5-methyl-pyridazin-3-yl)-2-methyl-piperazine-1-carboxylic acid (6-fluoro-benzothiazol-2-yl)-amide
CID 44396061
(2R)-4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxamide
CID 10409032
4-(3-chloro-2-pyridinyl)-4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 57770430
4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 88875599
N-(6-chloro-1,3-benzothiazol-2-yl)-4-[5-[(1S,2S)-1,2-dihydroxypropyl]-3-fluoro-2-pyridinyl]piperazine-1-carboxamide
CID 117678297
5-(1,3-benzothiazol-2-yl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-[[(3R)-piperidin-3-yl]amino]-1,3-diazinan-4-one
CID 134612211
N-(6-chloro-1,3-benzothiazol-2-yl)-4-[5-(2,3-dihydroxypropyl)-3-fluoro-2-pyridinyl]piperazine-1-carboxamide
CID 88547480

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 10456737) is (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1C(=O)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is NJCJFADEBLUOKP-LLVKDONJSA-N. The full InChI is InChI=1S/C19H17ClF3N5OS/c1-11-10-27(16-13(19(21,22)23)3-2-6-24-16)7-8-28(11)18(29)26-17-25-14-5-4-12(20)9-15(14)30-17/h2-6,9,11H,7-8,10H2,1H3,(H,25,26,29)/t11-/m1/s1.
What are the key properties of (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 455.89 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 10456737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).