N-(1-benzothiophen-3-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

C19H17F3N4OS — CID 2813505

IUPACN-(1-benzothiophen-3-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESO=C(Nc1csc2ccccc12)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H17F3N4OS/c20-19(21,22)13-5-6-17(23-11-13)25-7-9-26(10-8-25)18(27)24-15-12-28-16-4-2-1-3-14(15)16/h1-6,11-12H,7-10H2,(H,24,27)
InChIKeyQFKMCHMDDQAVAD-UHFFFAOYSA-N
MW406.43 g/mol
LogP4.67
Rot. Bonds2

About N-(1-benzothiophen-3-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

N-(1-benzothiophen-3-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 2813505) has the molecular formula C19H17F3N4OS and a molecular weight of 406.43 g/mol. Its IUPAC name is N-(1-benzothiophen-3-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzothiophen-3-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID2813505
Molecular FormulaC19H17F3N4OS
Molecular Weight406.43 g/mol
Exact Mass406.11
IUPAC NameN-(1-benzothiophen-3-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESO=C(Nc1csc2ccccc12)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H17F3N4OS/c20-19(21,22)13-5-6-17(23-11-13)25-7-9-26(10-8-25)18(27)24-15-12-28-16-4-2-1-3-14(15)16/h1-6,11-12H,7-10H2,(H,24,27)
InChIKeyQFKMCHMDDQAVAD-UHFFFAOYSA-N
XLogP4.67
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(Piperazin-1-yl)thieno[3,2-c]pyridine
CID 10966027
Gsk5750
CID 86577391
1-[4-[2-[4-(1,2-Benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-pyridin-3-ylurea
CID 86342061
1-(4-(4-Amino-7-(pyridin-3-yl)thieno[3,2-c]pyridin-3-yl)phenyl)-3-m-tolylurea
CID 11259499
1-(4-(4-Amino-7-(pyridin-4-yl)thieno[3,2-c]pyridin-3-yl)phenyl)-3-m-tolylurea
CID 11590515
4-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-butyl]-thiomorpholine-3,5-dione
CID 13914143
1-(3-(4-Aminothieno[3,2-c]pyridin-3-yl)phenyl)-3-m-tolylurea
CID 18450928
1-(4-(4-Amino-2-methylthieno[3,2-c]pyridin-3-yl)phenyl)-3-m-tolylurea
CID 18450940
1-(4-(4-Aminothieno[3,2-c]pyridin-3-yl)phenyl)-3-o-tolylurea
CID 18451361
1-(4-(4-Aminothieno[3,2-c]pyridin-3-yl)phenyl)-3-(3,4-dimethylphenyl)urea
CID 18451364
1-(4-(4-Aminothieno[3,2-c]pyridin-3-yl)phenyl)-3-(3,5-dimethylphenyl)urea
CID 18451365

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-(1-benzothiophen-3-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 2813505) is N-(1-benzothiophen-3-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(1-benzothiophen-3-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-(1-benzothiophen-3-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is O=C(Nc1csc2ccccc12)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N-(1-benzothiophen-3-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is QFKMCHMDDQAVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4OS/c20-19(21,22)13-5-6-17(23-11-13)25-7-9-26(10-8-25)18(27)24-15-12-28-16-4-2-1-3-14(15)16/h1-6,11-12H,7-10H2,(H,24,27).
What are the key properties of N-(1-benzothiophen-3-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
N-(1-benzothiophen-3-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 406.43 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 2813505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).