N-(1,3-thiazol-2-yl)-2-[4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperazin-1-yl]acetamide

C18H21F3N4O3S — CID 90643651

IUPACN-(1,3-thiazol-2-yl)-2-[4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CCOc2ccc(OC(F)(F)F)cc2)CC1)Nc1nccs1
InChIInChI=1S/C18H21F3N4O3S/c19-18(20,21)28-15-3-1-14(2-4-15)27-11-10-24-6-8-25(9-7-24)13-16(26)23-17-22-5-12-29-17/h1-5,12H,6-11,13H2,(H,22,23,26)
InChIKeySNTSVRXVDAVBBH-UHFFFAOYSA-N
MW430.45 g/mol
LogP2.68
Rot. Bonds8

About N-(1,3-thiazol-2-yl)-2-[4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperazin-1-yl]acetamide

N-(1,3-thiazol-2-yl)-2-[4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperazin-1-yl]acetamide (PubChem CID 90643651) has the molecular formula C18H21F3N4O3S and a molecular weight of 430.45 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-[4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-[4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperazin-1-yl]acetamide
PubChem CID90643651
Molecular FormulaC18H21F3N4O3S
Molecular Weight430.45 g/mol
Exact Mass430.13
IUPAC NameN-(1,3-thiazol-2-yl)-2-[4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CCOc2ccc(OC(F)(F)F)cc2)CC1)Nc1nccs1
InChIInChI=1S/C18H21F3N4O3S/c19-18(20,21)28-15-3-1-14(2-4-15)27-11-10-24-6-8-25(9-7-24)13-16(26)23-17-22-5-12-29-17/h1-5,12H,6-11,13H2,(H,22,23,26)
InChIKeySNTSVRXVDAVBBH-UHFFFAOYSA-N
XLogP2.68
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-[4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-[4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperazin-1-yl]acetamide (CID 90643651) is N-(1,3-thiazol-2-yl)-2-[4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-[4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-[4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperazin-1-yl]acetamide is O=C(CN1CCN(CCOc2ccc(OC(F)(F)F)cc2)CC1)Nc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-[4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperazin-1-yl]acetamide?
The InChIKey is SNTSVRXVDAVBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O3S/c19-18(20,21)28-15-3-1-14(2-4-15)27-11-10-24-6-8-25(9-7-24)13-16(26)23-17-22-5-12-29-17/h1-5,12H,6-11,13H2,(H,22,23,26).
What are the key properties of N-(1,3-thiazol-2-yl)-2-[4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperazin-1-yl]acetamide?
N-(1,3-thiazol-2-yl)-2-[4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperazin-1-yl]acetamide has a molecular weight of 430.45 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-[4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 90643651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).