1-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C15H19F3N6OS — CID 166760923

IUPAC1-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(N2CCCCC2)ns1
InChIInChI=1S/C15H19F3N6OS/c1-9(13-20-14(22-26-13)24-6-4-3-5-7-24)19-12(25)10-8-11(15(16,17)18)21-23(10)2/h8-9H,3-7H2,1-2H3,(H,19,25)/t9-/m0/s1
InChIKeyKXMVNTMHGAAJDH-VIFPVBQESA-N
MW388.42 g/mol
LogP2.77
Rot. Bonds4

About 1-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 166760923) has the molecular formula C15H19F3N6OS and a molecular weight of 388.42 g/mol. Its IUPAC name is 1-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID166760923
Molecular FormulaC15H19F3N6OS
Molecular Weight388.42 g/mol
Exact Mass388.13
IUPAC Name1-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(N2CCCCC2)ns1
InChIInChI=1S/C15H19F3N6OS/c1-9(13-20-14(22-26-13)24-6-4-3-5-7-24)19-12(25)10-8-11(15(16,17)18)21-23(10)2/h8-9H,3-7H2,1-2H3,(H,19,25)/t9-/m0/s1
InChIKeyKXMVNTMHGAAJDH-VIFPVBQESA-N
XLogP2.77
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 166760923) is 1-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(N2CCCCC2)ns1.
What is the InChIKey of 1-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is KXMVNTMHGAAJDH-VIFPVBQESA-N. The full InChI is InChI=1S/C15H19F3N6OS/c1-9(13-20-14(22-26-13)24-6-4-3-5-7-24)19-12(25)10-8-11(15(16,17)18)21-23(10)2/h8-9H,3-7H2,1-2H3,(H,19,25)/t9-/m0/s1.
What are the key properties of 1-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 166760923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).