[1-methyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrrolidin-3-yl]methanamine

C13H23N5S — CID 62975822

IUPAC[1-methyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrrolidin-3-yl]methanamine
SMILESCN1CCC(CN)(N2CCN(c3nccs3)CC2)C1
InChIInChI=1S/C13H23N5S/c1-16-4-2-13(10-14,11-16)18-7-5-17(6-8-18)12-15-3-9-19-12/h3,9H,2,4-8,10-11,14H2,1H3
InChIKeyCLHMADJRSPPROA-UHFFFAOYSA-N
MW281.43 g/mol
LogP0.30
Rot. Bonds3

About [1-methyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrrolidin-3-yl]methanamine

[1-methyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrrolidin-3-yl]methanamine (PubChem CID 62975822) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is [1-methyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrrolidin-3-yl]methanamine
PubChem CID62975822
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC Name[1-methyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrrolidin-3-yl]methanamine
SMILESCN1CCC(CN)(N2CCN(c3nccs3)CC2)C1
InChIInChI=1S/C13H23N5S/c1-16-4-2-13(10-14,11-16)18-7-5-17(6-8-18)12-15-3-9-19-12/h3,9H,2,4-8,10-11,14H2,1H3
InChIKeyCLHMADJRSPPROA-UHFFFAOYSA-N
XLogP0.30
TPSA48.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cycloheptyl]methanamine
CID 24698429
2-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-1,3-thiazole
CID 97393771
[3-(azocan-1-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 62976375
9-methyl-4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138380428
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 62752365
2-[4-(2-bromoethyl)piperazin-1-yl]-1,3-thiazole
CID 61288747
[3,4-dimethyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine
CID 130562552
2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole
CID 15743929
[1-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopentyl]methanamine
CID 24691066
N'-[(1-piperidin-1-ylcyclohexyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111027257
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-methyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrrolidin-3-yl]methanamine (CID 62975822) is [1-methyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-methyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-methyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrrolidin-3-yl]methanamine is CN1CCC(CN)(N2CCN(c3nccs3)CC2)C1.
What is the InChIKey of [1-methyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrrolidin-3-yl]methanamine?
The InChIKey is CLHMADJRSPPROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-16-4-2-13(10-14,11-16)18-7-5-17(6-8-18)12-15-3-9-19-12/h3,9H,2,4-8,10-11,14H2,1H3.
What are the key properties of [1-methyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrrolidin-3-yl]methanamine?
[1-methyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrrolidin-3-yl]methanamine has a molecular weight of 281.43 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62975822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).