N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide

C19H22FN5OS — CID 86919347

IUPACN-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
SMILESCC(C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C19H22FN5OS/c1-15(23-10-12-24(13-11-23)19-22-8-14-27-19)18(26)25(9-2-7-21)17-5-3-16(20)4-6-17/h3-6,8,14-15H,2,9-13H2,1H3
InChIKeyDTTVFUMBLYUKKE-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.74
Rot. Bonds6

About N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide

N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide (PubChem CID 86919347) has the molecular formula C19H22FN5OS and a molecular weight of 387.48 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
PubChem CID86919347
Molecular FormulaC19H22FN5OS
Molecular Weight387.48 g/mol
Exact Mass387.15
IUPAC NameN-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
SMILESCC(C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C19H22FN5OS/c1-15(23-10-12-24(13-11-23)19-22-8-14-27-19)18(26)25(9-2-7-21)17-5-3-16(20)4-6-17/h3-6,8,14-15H,2,9-13H2,1H3
InChIKeyDTTVFUMBLYUKKE-UHFFFAOYSA-N
XLogP2.74
TPSA63.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
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N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
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N-(4-ethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide (CID 86919347) is N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide is CC(C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(c2nccs2)CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The InChIKey is DTTVFUMBLYUKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5OS/c1-15(23-10-12-24(13-11-23)19-22-8-14-27-19)18(26)25(9-2-7-21)17-5-3-16(20)4-6-17/h3-6,8,14-15H,2,9-13H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide has a molecular weight of 387.48 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 86919347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).