N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-propylacetamide

C29H31F4N5O3S — CID 58428865

IUPACN-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-propylacetamide
SMILESCCCN(Cc1nc(C(F)(F)F)c(C(=O)Cc2ccc(N3CCN(C(=O)Cc4ccccc4F)CC3)nc2)s1)C(C)=O
InChIInChI=1S/C29H31F4N5O3S/c1-3-10-38(19(2)39)18-25-35-28(29(31,32)33)27(42-25)23(40)15-20-8-9-24(34-17-20)36-11-13-37(14-12-36)26(41)16-21-6-4-5-7-22(21)30/h4-9,17H,3,10-16,18H2,1-2H3
InChIKeyZAHJBBLOQVFDFQ-UHFFFAOYSA-N
MW605.66 g/mol
LogP4.77
Rot. Bonds10

About N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-propylacetamide

N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-propylacetamide (PubChem CID 58428865) has the molecular formula C29H31F4N5O3S and a molecular weight of 605.66 g/mol. Its IUPAC name is N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-propylacetamide.

Molecular Properties

Compound NameN-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-propylacetamide
PubChem CID58428865
Molecular FormulaC29H31F4N5O3S
Molecular Weight605.66 g/mol
Exact Mass605.21
IUPAC NameN-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-propylacetamide
SMILESCCCN(Cc1nc(C(F)(F)F)c(C(=O)Cc2ccc(N3CCN(C(=O)Cc4ccccc4F)CC3)nc2)s1)C(C)=O
InChIInChI=1S/C29H31F4N5O3S/c1-3-10-38(19(2)39)18-25-35-28(29(31,32)33)27(42-25)23(40)15-20-8-9-24(34-17-20)36-11-13-37(14-12-36)26(41)16-21-6-4-5-7-22(21)30/h4-9,17H,3,10-16,18H2,1-2H3
InChIKeyZAHJBBLOQVFDFQ-UHFFFAOYSA-N
XLogP4.77
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.66
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-propylacetamide with MolForge

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Related Compounds

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CID 470733
(4-Amino-2-(pyridin-3-ylamino)thiazol-5-yl)(2-fluorophenyl)methanone
CID 54581340
(3-fluorophenyl)-[(1S,5R)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
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N-[4-(2-Propyl-4-m-tolyl-thiazol-5-yl)-pyridin-2-yl]-benzamide
CID 10179981
1-(4-(3-(2-(Pyridin-2-ylamino)thiazol-5-ylthio)benzoyl)piperazin-1-yl)ethanone
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4-fluoro-3-((2-(pyridin-2-ylamino)thiazol-5-ylmethyl)amino)-N-(pyridin-2-ylmethyl)benzamide
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CID 15950250
N-(2-aminoethyl)-3-[2-[[4-(4,4-difluoropiperidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-propylacetamide?
The IUPAC name of N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-propylacetamide (CID 58428865) is N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-propylacetamide.
What is the SMILES notation for N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-propylacetamide?
The canonical SMILES for N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-propylacetamide is CCCN(Cc1nc(C(F)(F)F)c(C(=O)Cc2ccc(N3CCN(C(=O)Cc4ccccc4F)CC3)nc2)s1)C(C)=O.
What is the InChIKey of N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-propylacetamide?
The InChIKey is ZAHJBBLOQVFDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F4N5O3S/c1-3-10-38(19(2)39)18-25-35-28(29(31,32)33)27(42-25)23(40)15-20-8-9-24(34-17-20)36-11-13-37(14-12-36)26(41)16-21-6-4-5-7-22(21)30/h4-9,17H,3,10-16,18H2,1-2H3.
What are the key properties of N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-propylacetamide?
N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-propylacetamide has a molecular weight of 605.66 g/mol, XLogP of 4.77, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]acetyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-N-propylacetamide is sourced from PubChem (CID 58428865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).