2-thiophen-2-yl-N-[2-[4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidin-1-yl]phenyl]-1,3-thiazole-4-carboxamide

C24H21F6N5O3S2 — CID 89272067

IUPAC2-thiophen-2-yl-N-[2-[4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidin-1-yl]phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCC(CNC(=O)C(F)(F)F)(NC(=O)C(F)(F)F)CC1)c1csc(-c2cccs2)n1
InChIInChI=1S/C24H21F6N5O3S2/c25-23(26,27)20(37)31-13-22(34-21(38)24(28,29)30)7-9-35(10-8-22)16-5-2-1-4-14(16)32-18(36)15-12-40-19(33-15)17-6-3-11-39-17/h1-6,11-12H,7-10,13H2,(H,31,37)(H,32,36)(H,34,38)
InChIKeyZEUGUNHCLWSXHH-UHFFFAOYSA-N
MW605.59 g/mol
LogP4.82
Rot. Bonds7

About 2-thiophen-2-yl-N-[2-[4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidin-1-yl]phenyl]-1,3-thiazole-4-carboxamide

2-thiophen-2-yl-N-[2-[4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidin-1-yl]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 89272067) has the molecular formula C24H21F6N5O3S2 and a molecular weight of 605.59 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-[2-[4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidin-1-yl]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-thiophen-2-yl-N-[2-[4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidin-1-yl]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID89272067
Molecular FormulaC24H21F6N5O3S2
Molecular Weight605.59 g/mol
Exact Mass605.10
IUPAC Name2-thiophen-2-yl-N-[2-[4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidin-1-yl]phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCC(CNC(=O)C(F)(F)F)(NC(=O)C(F)(F)F)CC1)c1csc(-c2cccs2)n1
InChIInChI=1S/C24H21F6N5O3S2/c25-23(26,27)20(37)31-13-22(34-21(38)24(28,29)30)7-9-35(10-8-22)16-5-2-1-4-14(16)32-18(36)15-12-40-19(33-15)17-6-3-11-39-17/h1-6,11-12H,7-10,13H2,(H,31,37)(H,32,36)(H,34,38)
InChIKeyZEUGUNHCLWSXHH-UHFFFAOYSA-N
XLogP4.82
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.59
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71142462
N-[2-[4-amino-4-(aminomethyl)piperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098117
2-thiophen-2-yl-N-[2-[(3S)-3-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidin-1-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 89272226
N-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 25097003
N-[2-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 126661530
N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098055
N-[2-(3-aminoazetidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098037
N-[2-(3-hydroxypyrrolidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 78007893
N-[2-[3-(aminomethyl)piperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098371
N-[2-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71142304
N-[2-(3-hydroxypiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098059
N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71142543

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-[2-[4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidin-1-yl]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-thiophen-2-yl-N-[2-[4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidin-1-yl]phenyl]-1,3-thiazole-4-carboxamide (CID 89272067) is 2-thiophen-2-yl-N-[2-[4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidin-1-yl]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-thiophen-2-yl-N-[2-[4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidin-1-yl]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-thiophen-2-yl-N-[2-[4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidin-1-yl]phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCC(CNC(=O)C(F)(F)F)(NC(=O)C(F)(F)F)CC1)c1csc(-c2cccs2)n1.
What is the InChIKey of 2-thiophen-2-yl-N-[2-[4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidin-1-yl]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZEUGUNHCLWSXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F6N5O3S2/c25-23(26,27)20(37)31-13-22(34-21(38)24(28,29)30)7-9-35(10-8-22)16-5-2-1-4-14(16)32-18(36)15-12-40-19(33-15)17-6-3-11-39-17/h1-6,11-12H,7-10,13H2,(H,31,37)(H,32,36)(H,34,38).
What are the key properties of 2-thiophen-2-yl-N-[2-[4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidin-1-yl]phenyl]-1,3-thiazole-4-carboxamide?
2-thiophen-2-yl-N-[2-[4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidin-1-yl]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 605.59 g/mol, XLogP of 4.82, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-[2-[4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidin-1-yl]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 89272067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).