N-(1,3-thiazol-2-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide

C18H19F3N4O2S — CID 53311928

IUPACN-(1,3-thiazol-2-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
SMILESO=C(Nc1nccs1)N1CCN(C2CCOc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C18H19F3N4O2S/c19-18(20,21)12-1-2-13-14(3-9-27-15(13)11-12)24-5-7-25(8-6-24)17(26)23-16-22-4-10-28-16/h1-2,4,10-11,14H,3,5-9H2,(H,22,23,26)
InChIKeyLJHOSCPBLIGCTL-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.84
Rot. Bonds2

About N-(1,3-thiazol-2-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide

N-(1,3-thiazol-2-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide (PubChem CID 53311928) has the molecular formula C18H19F3N4O2S and a molecular weight of 412.44 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
PubChem CID53311928
Molecular FormulaC18H19F3N4O2S
Molecular Weight412.44 g/mol
Exact Mass412.12
IUPAC NameN-(1,3-thiazol-2-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide
SMILESO=C(Nc1nccs1)N1CCN(C2CCOc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C18H19F3N4O2S/c19-18(20,21)12-1-2-13-14(3-9-27-15(13)11-12)24-5-7-25(8-6-24)17(26)23-16-22-4-10-28-16/h1-2,4,10-11,14H,3,5-9H2,(H,22,23,26)
InChIKeyLJHOSCPBLIGCTL-UHFFFAOYSA-N
XLogP3.84
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide (CID 53311928) is N-(1,3-thiazol-2-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide is O=C(Nc1nccs1)N1CCN(C2CCOc3cc(C(F)(F)F)ccc32)CC1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide?
The InChIKey is LJHOSCPBLIGCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2S/c19-18(20,21)12-1-2-13-14(3-9-27-15(13)11-12)24-5-7-25(8-6-24)17(26)23-16-22-4-10-28-16/h1-2,4,10-11,14H,3,5-9H2,(H,22,23,26).
What are the key properties of N-(1,3-thiazol-2-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide?
N-(1,3-thiazol-2-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide has a molecular weight of 412.44 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-4-[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 53311928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).