N-methyl-2-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide

C20H19F3N4OS — CID 155948675

IUPACN-methyl-2-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCC(c2nc3cc(C(F)(F)F)ccc3s2)CC1
InChIInChI=1S/C20H19F3N4OS/c1-24-18(28)14-3-2-8-25-17(14)27-9-6-12(7-10-27)19-26-15-11-13(20(21,22)23)4-5-16(15)29-19/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,24,28)
InChIKeyGQTJKOPNMZXYNX-UHFFFAOYSA-N
MW420.46 g/mol
LogP4.45
Rot. Bonds3

About N-methyl-2-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide

N-methyl-2-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 155948675) has the molecular formula C20H19F3N4OS and a molecular weight of 420.46 g/mol. Its IUPAC name is N-methyl-2-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID155948675
Molecular FormulaC20H19F3N4OS
Molecular Weight420.46 g/mol
Exact Mass420.12
IUPAC NameN-methyl-2-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCC(c2nc3cc(C(F)(F)F)ccc3s2)CC1
InChIInChI=1S/C20H19F3N4OS/c1-24-18(28)14-3-2-8-25-17(14)27-9-6-12(7-10-27)19-26-15-11-13(20(21,22)23)4-5-16(15)29-19/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,24,28)
InChIKeyGQTJKOPNMZXYNX-UHFFFAOYSA-N
XLogP4.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,3-thiazol-2-yl]nicotinamide
CID 22282339
[6-[[4-[2-(Dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 163183800
N-(2-aminoethyl)-5-[2-[[4-(4,4-difluoropiperidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980473
N-[Benzo[d]thiazol-2-yl]nicotinamide
CID 571618
US20230303553, Example 51
CID 169073871
N-(aminomethyl)-5-[2-[[4-(4-fluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 57404486
N-(aminomethyl)-5-[2-[[4-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 57404487
6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
CID 156013713
N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-5-tritiopyridine-3-carboxamide
CID 166635231
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 2486876
N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]pyridine-3-carboxamide
CID 1258198
N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-6-piperidin-1ylnicotinamide
CID 11581455

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide (CID 155948675) is N-methyl-2-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide is CNC(=O)c1cccnc1N1CCC(c2nc3cc(C(F)(F)F)ccc3s2)CC1.
What is the InChIKey of N-methyl-2-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is GQTJKOPNMZXYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4OS/c1-24-18(28)14-3-2-8-25-17(14)27-9-6-12(7-10-27)19-26-15-11-13(20(21,22)23)4-5-16(15)29-19/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,24,28).
What are the key properties of N-methyl-2-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide?
N-methyl-2-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 420.46 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 155948675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).