N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide

C15H18F3N5OS — CID 164638789

IUPACN-[(3S)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(N2CCC[C@H](NC(=O)c3ncsc3C(F)(F)F)C2)n(C)n1
InChIInChI=1S/C15H18F3N5OS/c1-9-6-11(22(2)21-9)23-5-3-4-10(7-23)20-14(24)12-13(15(16,17)18)25-8-19-12/h6,8,10H,3-5,7H2,1-2H3,(H,20,24)/t10-/m0/s1
InChIKeyDWVFSRBFMYYTAO-JTQLQIEISA-N
MW373.40 g/mol
LogP2.60
Rot. Bonds3

About N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide

N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide (PubChem CID 164638789) has the molecular formula C15H18F3N5OS and a molecular weight of 373.40 g/mol. Its IUPAC name is N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide
PubChem CID164638789
Molecular FormulaC15H18F3N5OS
Molecular Weight373.40 g/mol
Exact Mass373.12
IUPAC NameN-[(3S)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(N2CCC[C@H](NC(=O)c3ncsc3C(F)(F)F)C2)n(C)n1
InChIInChI=1S/C15H18F3N5OS/c1-9-6-11(22(2)21-9)23-5-3-4-10(7-23)20-14(24)12-13(15(16,17)18)25-8-19-12/h6,8,10H,3-5,7H2,1-2H3,(H,20,24)/t10-/m0/s1
InChIKeyDWVFSRBFMYYTAO-JTQLQIEISA-N
XLogP2.60
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide (CID 164638789) is N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide is Cc1cc(N2CCC[C@H](NC(=O)c3ncsc3C(F)(F)F)C2)n(C)n1.
What is the InChIKey of N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DWVFSRBFMYYTAO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18F3N5OS/c1-9-6-11(22(2)21-9)23-5-3-4-10(7-23)20-14(24)12-13(15(16,17)18)25-8-19-12/h6,8,10H,3-5,7H2,1-2H3,(H,20,24)/t10-/m0/s1.
What are the key properties of N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 373.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 164638789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).