N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide

C23H23F3N6O2S — CID 57335226

IUPACN-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCNC1(C(N)=O)CCN(c2ccccc2NC(=O)c2csc(-c3ccc(C(F)(F)F)nc3)n2)CC1
InChIInChI=1S/C23H23F3N6O2S/c1-28-22(21(27)34)8-10-32(11-9-22)17-5-3-2-4-15(17)30-19(33)16-13-35-20(31-16)14-6-7-18(29-12-14)23(24,25)26/h2-7,12-13,28H,8-11H2,1H3,(H2,27,34)(H,30,33)
InChIKeyZRVVUBYCMLBPRC-UHFFFAOYSA-N
MW504.54 g/mol
LogP3.52
Rot. Bonds6

About N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide

N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 57335226) has the molecular formula C23H23F3N6O2S and a molecular weight of 504.54 g/mol. Its IUPAC name is N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID57335226
Molecular FormulaC23H23F3N6O2S
Molecular Weight504.54 g/mol
Exact Mass504.16
IUPAC NameN-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCNC1(C(N)=O)CCN(c2ccccc2NC(=O)c2csc(-c3ccc(C(F)(F)F)nc3)n2)CC1
InChIInChI=1S/C23H23F3N6O2S/c1-28-22(21(27)34)8-10-32(11-9-22)17-5-3-2-4-15(17)30-19(33)16-13-35-20(31-16)14-6-7-18(29-12-14)23(24,25)26/h2-7,12-13,28H,8-11H2,1H3,(H2,27,34)(H,30,33)
InChIKeyZRVVUBYCMLBPRC-UHFFFAOYSA-N
XLogP3.52
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.54
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(2-oxo-1H-pyrimidin-5-yl)-1,3-thiazole-4-carboxamide
CID 136509988
2-amino-N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;cyclopentane
CID 143665645
4-(methylamino)-1-[2-[1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethenylamino]phenyl]piperidine-4-carboxamide
CID 89272006
N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71142454
methyl 3-[[4-[[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]carbamoyl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate
CID 24965268
N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 126661885
N-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 25097003
N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 25098058
2-(6-chloro-3-pyridinyl)-N-[2-(4-cyanopiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 87332484
methyl 2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate
CID 166448386
1-[2-[[(2-bromo-1,3-thiazol-4-yl)-hydroxymethyl]amino]phenyl]-4-(methylamino)piperidine-4-carboxamide
CID 163971518
N-(2-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33171812

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide (CID 57335226) is N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide is CNC1(C(N)=O)CCN(c2ccccc2NC(=O)c2csc(-c3ccc(C(F)(F)F)nc3)n2)CC1.
What is the InChIKey of N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZRVVUBYCMLBPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O2S/c1-28-22(21(27)34)8-10-32(11-9-22)17-5-3-2-4-15(17)30-19(33)16-13-35-20(31-16)14-6-7-18(29-12-14)23(24,25)26/h2-7,12-13,28H,8-11H2,1H3,(H2,27,34)(H,30,33).
What are the key properties of N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 504.54 g/mol, XLogP of 3.52, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 57335226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).