N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-thiazol-2-amine

C17H24N4OS — CID 89427881

IUPACN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-thiazol-2-amine
SMILESCOc1ccccc1N1CCN(CCCNc2nccs2)CC1
InChIInChI=1S/C17H24N4OS/c1-22-16-6-3-2-5-15(16)21-12-10-20(11-13-21)9-4-7-18-17-19-8-14-23-17/h2-3,5-6,8,14H,4,7,9-13H2,1H3,(H,18,19)
InChIKeyHMFGABJELKKEPO-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.78
Rot. Bonds7

About N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-thiazol-2-amine

N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-thiazol-2-amine (PubChem CID 89427881) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-thiazol-2-amine
PubChem CID89427881
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-thiazol-2-amine
SMILESCOc1ccccc1N1CCN(CCCNc2nccs2)CC1
InChIInChI=1S/C17H24N4OS/c1-22-16-6-3-2-5-15(16)21-12-10-20(11-13-21)9-4-7-18-17-19-8-14-23-17/h2-3,5-6,8,14H,4,7,9-13H2,1H3,(H,18,19)
InChIKeyHMFGABJELKKEPO-UHFFFAOYSA-N
XLogP2.78
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 10018417
4-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzene-1,2,4-triamine
CID 68626819
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]aniline
CID 22458185
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 10248783
hydroxy-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,4-dioxonaphthalen-2-yl]azanium
CID 143764643
1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine
CID 172860872
1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine
CID 110284680
N,N-diethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide;hydrochloride
CID 21473401
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 40932948
N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine
CID 24805876
3-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 10364070

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-thiazol-2-amine (CID 89427881) is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-thiazol-2-amine is COc1ccccc1N1CCN(CCCNc2nccs2)CC1.
What is the InChIKey of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-thiazol-2-amine?
The InChIKey is HMFGABJELKKEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-22-16-6-3-2-5-15(16)21-12-10-20(11-13-21)9-4-7-18-17-19-8-14-23-17/h2-3,5-6,8,14H,4,7,9-13H2,1H3,(H,18,19).
What are the key properties of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-thiazol-2-amine?
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-thiazol-2-amine has a molecular weight of 332.47 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 89427881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).