4-[2-(3-piperazin-1-ylpropyl)phenyl]-1,3-thiazol-2-amine

C16H22N4S — CID 141070766

IUPAC4-[2-(3-piperazin-1-ylpropyl)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2CCCN2CCNCC2)cs1
InChIInChI=1S/C16H22N4S/c17-16-19-15(12-21-16)14-6-2-1-4-13(14)5-3-9-20-10-7-18-8-11-20/h1-2,4,6,12,18H,3,5,7-11H2,(H2,17,19)
InChIKeyPKHSXGJUQDZNCS-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.23
Rot. Bonds5

About 4-[2-(3-piperazin-1-ylpropyl)phenyl]-1,3-thiazol-2-amine

4-[2-(3-piperazin-1-ylpropyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 141070766) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 4-[2-(3-piperazin-1-ylpropyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(3-piperazin-1-ylpropyl)phenyl]-1,3-thiazol-2-amine
PubChem CID141070766
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name4-[2-(3-piperazin-1-ylpropyl)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2CCCN2CCNCC2)cs1
InChIInChI=1S/C16H22N4S/c17-16-19-15(12-21-16)14-6-2-1-4-13(14)5-3-9-20-10-7-18-8-11-20/h1-2,4,6,12,18H,3,5,7-11H2,(H2,17,19)
InChIKeyPKHSXGJUQDZNCS-UHFFFAOYSA-N
XLogP2.23
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-piperazin-1-ylpropyl)aniline
CID 82161391
4-(2-piperazin-1-ylethyl)-1,3-thiazol-2-amine
CID 82508561
[2-(2-amino-1,3-thiazol-4-yl)phenyl]methanol
CID 105459084
4-(2-ethylphenyl)-1,3-thiazol-2-amine
CID 112562140
2-(4-piperazin-1-ylbutyl)phenol
CID 83930504
2-(3-piperazin-1-ylpropyl)-1,3-benzothiazole
CID 116999900
4-[2-(methoxymethyl)phenyl]-1,3-thiazol-2-amine
CID 162386865
2-chloro-3-(3-piperazin-1-ylpropyl)quinoline
CID 170868283
1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
CID 170863059
2-(4-piperazin-1-ylbutyl)benzoic acid
CID 83954010
4-(2-aminophenyl)-1,3-thiazol-2-amine
CID 28865398
2-[2-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 117402585

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-piperazin-1-ylpropyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(3-piperazin-1-ylpropyl)phenyl]-1,3-thiazol-2-amine (CID 141070766) is 4-[2-(3-piperazin-1-ylpropyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(3-piperazin-1-ylpropyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(3-piperazin-1-ylpropyl)phenyl]-1,3-thiazol-2-amine is Nc1nc(-c2ccccc2CCCN2CCNCC2)cs1.
What is the InChIKey of 4-[2-(3-piperazin-1-ylpropyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is PKHSXGJUQDZNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c17-16-19-15(12-21-16)14-6-2-1-4-13(14)5-3-9-20-10-7-18-8-11-20/h1-2,4,6,12,18H,3,5,7-11H2,(H2,17,19).
What are the key properties of 4-[2-(3-piperazin-1-ylpropyl)phenyl]-1,3-thiazol-2-amine?
4-[2-(3-piperazin-1-ylpropyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 302.45 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-piperazin-1-ylpropyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 141070766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).