4-methyl-2-thiophen-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide

C20H19F3N4OS2 — CID 55708434

IUPAC4-methyl-2-thiophen-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H19F3N4OS2/c1-12-17(30-19(25-12)15-3-2-10-29-15)18(28)26-14-6-8-27(9-7-14)16-5-4-13(11-24-16)20(21,22)23/h2-5,10-11,14H,6-9H2,1H3,(H,26,28)
InChIKeyMELGUTSCCUCRJH-UHFFFAOYSA-N
MW452.53 g/mol
LogP4.99
Rot. Bonds4

About 4-methyl-2-thiophen-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide

4-methyl-2-thiophen-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 55708434) has the molecular formula C20H19F3N4OS2 and a molecular weight of 452.53 g/mol. Its IUPAC name is 4-methyl-2-thiophen-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-thiophen-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID55708434
Molecular FormulaC20H19F3N4OS2
Molecular Weight452.53 g/mol
Exact Mass452.10
IUPAC Name4-methyl-2-thiophen-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H19F3N4OS2/c1-12-17(30-19(25-12)15-3-2-10-29-15)18(28)26-14-6-8-27(9-7-14)16-5-4-13(11-24-16)20(21,22)23/h2-5,10-11,14H,6-9H2,1H3,(H,26,28)
InChIKeyMELGUTSCCUCRJH-UHFFFAOYSA-N
XLogP4.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
6-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-2-carboxamide
CID 46465991
4,5-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46485755
4-methyl-2-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 9192165
2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide
CID 55708584
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 120549268
1-(thiophen-2-ylmethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrole-2-carboxamide
CID 55959614
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55708564
1-ethyl-1-(thiophen-2-ylmethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea
CID 52652497
4-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 71884591
N-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 41075355
3-methyl-1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 55708322

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-thiophen-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-thiophen-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide (CID 55708434) is 4-methyl-2-thiophen-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-thiophen-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-thiophen-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccs2)sc1C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 4-methyl-2-thiophen-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is MELGUTSCCUCRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4OS2/c1-12-17(30-19(25-12)15-3-2-10-29-15)18(28)26-14-6-8-27(9-7-14)16-5-4-13(11-24-16)20(21,22)23/h2-5,10-11,14H,6-9H2,1H3,(H,26,28).
What are the key properties of 4-methyl-2-thiophen-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
4-methyl-2-thiophen-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 452.53 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-thiophen-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55708434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).