N-propyl-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide

C14H21F3N4OS — CID 71911140

IUPACN-propyl-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
SMILESCCCNC(=O)CN1CCN(Cc2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C14H21F3N4OS/c1-2-3-18-12(22)8-20-4-6-21(7-5-20)9-13-19-11(10-23-13)14(15,16)17/h10H,2-9H2,1H3,(H,18,22)
InChIKeyBJNQURVETBKSEW-UHFFFAOYSA-N
MW350.41 g/mol
LogP1.81
Rot. Bonds6

About N-propyl-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide

N-propyl-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide (PubChem CID 71911140) has the molecular formula C14H21F3N4OS and a molecular weight of 350.41 g/mol. Its IUPAC name is N-propyl-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-propyl-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
PubChem CID71911140
Molecular FormulaC14H21F3N4OS
Molecular Weight350.41 g/mol
Exact Mass350.14
IUPAC NameN-propyl-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
SMILESCCCNC(=O)CN1CCN(Cc2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C14H21F3N4OS/c1-2-3-18-12(22)8-20-4-6-21(7-5-20)9-13-19-11(10-23-13)14(15,16)17/h10H,2-9H2,1H3,(H,18,22)
InChIKeyBJNQURVETBKSEW-UHFFFAOYSA-N
XLogP1.81
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-propyl-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide (CID 71911140) is N-propyl-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-propyl-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-propyl-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide is CCCNC(=O)CN1CCN(Cc2nc(C(F)(F)F)cs2)CC1.
What is the InChIKey of N-propyl-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide?
The InChIKey is BJNQURVETBKSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4OS/c1-2-3-18-12(22)8-20-4-6-21(7-5-20)9-13-19-11(10-23-13)14(15,16)17/h10H,2-9H2,1H3,(H,18,22).
What are the key properties of N-propyl-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide?
N-propyl-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide has a molecular weight of 350.41 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 71911140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).