N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide

C17H20F3N5OS — CID 128676070

IUPACN-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(NC1CCCc2cn[nH]c21)N1CCC(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C17H20F3N5OS/c18-17(19,20)13-9-27-15(23-13)10-4-6-25(7-5-10)16(26)22-12-3-1-2-11-8-21-24-14(11)12/h8-10,12H,1-7H2,(H,21,24)(H,22,26)
InChIKeyPRTKCEIGXGVXAQ-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.85
Rot. Bonds2

About N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide

N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide (PubChem CID 128676070) has the molecular formula C17H20F3N5OS and a molecular weight of 399.44 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
PubChem CID128676070
Molecular FormulaC17H20F3N5OS
Molecular Weight399.44 g/mol
Exact Mass399.13
IUPAC NameN-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(NC1CCCc2cn[nH]c21)N1CCC(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C17H20F3N5OS/c18-17(19,20)13-9-27-15(23-13)10-4-6-25(7-5-10)16(26)22-12-3-1-2-11-8-21-24-14(11)12/h8-10,12H,1-7H2,(H,21,24)(H,22,26)
InChIKeyPRTKCEIGXGVXAQ-UHFFFAOYSA-N
XLogP3.85
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide (CID 128676070) is N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide is O=C(NC1CCCc2cn[nH]c21)N1CCC(c2nc(C(F)(F)F)cs2)CC1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is PRTKCEIGXGVXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5OS/c18-17(19,20)13-9-27-15(23-13)10-4-6-25(7-5-10)16(26)22-12-3-1-2-11-8-21-24-14(11)12/h8-10,12H,1-7H2,(H,21,24)(H,22,26).
What are the key properties of N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 399.44 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 128676070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).