2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C15H18ClN4OS+ — CID 4118384

IUPAC2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(C[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1nccs1
InChIInChI=1S/C15H17ClN4OS/c16-12-1-3-13(4-2-12)20-8-6-19(7-9-20)11-14(21)18-15-17-5-10-22-15/h1-5,10H,6-9,11H2,(H,17,18,21)/p+1
InChIKeySZYVEFADFAVHMA-UHFFFAOYSA-O
MW337.86 g/mol
LogP1.14
Rot. Bonds4

About 2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 4118384) has the molecular formula C15H18ClN4OS+ and a molecular weight of 337.86 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID4118384
Molecular FormulaC15H18ClN4OS+
Molecular Weight337.86 g/mol
Exact Mass337.09
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(C[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1nccs1
InChIInChI=1S/C15H17ClN4OS/c16-12-1-3-13(4-2-12)20-8-6-19(7-9-20)11-14(21)18-15-17-5-10-22-15/h1-5,10H,6-9,11H2,(H,17,18,21)/p+1
InChIKeySZYVEFADFAVHMA-UHFFFAOYSA-O
XLogP1.14
TPSA49.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.86
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 6958471
4-(4-chlorophenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 23934454
3-(4-chlorophenyl)-2,2-dimethyl-3-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 59232573
2-(4-phenylpiperazin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 7339731
2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 7216151
N-(2,4-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2655419
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8587311
N-(5-chloro-2-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8587427
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 863218
N-(5-chloro-2-nitrophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 7925966
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 78962803
2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 7390121

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 4118384) is 2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(C[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1nccs1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is SZYVEFADFAVHMA-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17ClN4OS/c16-12-1-3-13(4-2-12)20-8-6-19(7-9-20)11-14(21)18-15-17-5-10-22-15/h1-5,10H,6-9,11H2,(H,17,18,21)/p+1.
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 337.86 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4118384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).