2-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide

C18H16F3N3O2S2 — CID 118618802

IUPAC2-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cc2sc(N3CCCCC3)nc2s1
InChIInChI=1S/C18H16F3N3O2S2/c19-18(20,21)26-12-6-4-11(5-7-12)22-15(25)13-10-14-16(27-13)23-17(28-14)24-8-2-1-3-9-24/h4-7,10H,1-3,8-9H2,(H,22,25)
InChIKeyYKCSSHCCJKZCDH-UHFFFAOYSA-N
MW427.47 g/mol
LogP5.50
Rot. Bonds4

About 2-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide

2-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618802) has the molecular formula C18H16F3N3O2S2 and a molecular weight of 427.47 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618802
Molecular FormulaC18H16F3N3O2S2
Molecular Weight427.47 g/mol
Exact Mass427.06
IUPAC Name2-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cc2sc(N3CCCCC3)nc2s1
InChIInChI=1S/C18H16F3N3O2S2/c19-18(20,21)26-12-6-4-11(5-7-12)22-15(25)13-10-14-16(27-13)23-17(28-14)24-8-2-1-3-9-24/h4-7,10H,1-3,8-9H2,(H,22,25)
InChIKeyYKCSSHCCJKZCDH-UHFFFAOYSA-N
XLogP5.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.47
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)-3-phenylthieno[2,3-d]imidazole-5-carboxamide
CID 25341790
N-(4-methoxyphenyl)-2-piperazin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618386
N-(4-hydroxyphenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618390
N-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618399
2-(dimethylamino)-N-(4-methoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618658
N-(4-methoxyphenyl)-N-methyl-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618661
N-(4-methoxyphenyl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618662
4-methoxy-N-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methyl]aniline
CID 118618671
4-methoxy-N-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)benzamide
CID 118618693
N-(3,5-dimethoxyphenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618754
Antitubercular agent-24
CID 118618757
N-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618797

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618802) is 2-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc2sc(N3CCCCC3)nc2s1.
What is the InChIKey of 2-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is YKCSSHCCJKZCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2S2/c19-18(20,21)26-12-6-4-11(5-7-12)22-15(25)13-10-14-16(27-13)23-17(28-14)24-8-2-1-3-9-24/h4-7,10H,1-3,8-9H2,(H,22,25).
What are the key properties of 2-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
2-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 427.47 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).