2-[[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

C20H26FN5O2S — CID 6464410

IUPAC2-[[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)CN2CCN(Cc3ccc(F)cc3)CC2)sc1C(=O)N(C)C
InChIInChI=1S/C20H26FN5O2S/c1-14-18(19(28)24(2)3)29-20(22-14)23-17(27)13-26-10-8-25(9-11-26)12-15-4-6-16(21)7-5-15/h4-7H,8-13H2,1-3H3,(H,22,23,27)
InChIKeyUBOAMDKHROKERV-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.05
Rot. Bonds6

About 2-[[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

2-[[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 6464410) has the molecular formula C20H26FN5O2S and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-[[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID6464410
Molecular FormulaC20H26FN5O2S
Molecular Weight419.53 g/mol
Exact Mass419.18
IUPAC Name2-[[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)CN2CCN(Cc3ccc(F)cc3)CC2)sc1C(=O)N(C)C
InChIInChI=1S/C20H26FN5O2S/c1-14-18(19(28)24(2)3)29-20(22-14)23-17(27)13-26-10-8-25(9-11-26)12-15-4-6-16(21)7-5-15/h4-7H,8-13H2,1-3H3,(H,22,23,27)
InChIKeyUBOAMDKHROKERV-UHFFFAOYSA-N
XLogP2.05
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-[(benzylcarbamoyl)amino]-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911412
2-[(butylcarbamoyl)amino]-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21985432
CCR3 Antagonist
CID 11329244
1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-1-acetylpiperidin-3-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
CID 11953409
1-((3S,4R)-3-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)piperidin-4-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
CID 44445845
1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)piperidin-3-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
CID 44445847
1-((3R,4R)-3-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-1-(methylcarbamoyl)piperidin-4-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
CID 44445865
1-((3R,4R)-3-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-1-(2-fluoroethyl)piperidin-4-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
CID 44445872
1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-1-(methylcarbamoyl)piperidin-3-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
CID 44445886
US10065972, Example 281
CID 124152707
2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 2440658
{[2-(2-Fluoro-benzoylamino)-4-methyl-thiazole-5-carbonyl]-amino}-acetic acid ethyl ester
CID 655688

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 6464410) is 2-[[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)CN2CCN(Cc3ccc(F)cc3)CC2)sc1C(=O)N(C)C.
What is the InChIKey of 2-[[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is UBOAMDKHROKERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O2S/c1-14-18(19(28)24(2)3)29-20(22-14)23-17(27)13-26-10-8-25(9-11-26)12-15-4-6-16(21)7-5-15/h4-7H,8-13H2,1-3H3,(H,22,23,27).
What are the key properties of 2-[[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-[[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 6464410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).