[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine

C11H15N5S2 — CID 62752365

IUPAC[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(N2CCN(c3nccs3)CC2)s1
InChIInChI=1S/C11H15N5S2/c12-7-9-8-14-11(18-9)16-4-2-15(3-5-16)10-13-1-6-17-10/h1,6,8H,2-5,7,12H2
InChIKeyFHOVJNLLWPSRGG-UHFFFAOYSA-N
MW281.41 g/mol
LogP1.38
Rot. Bonds3

About [2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine

[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine (PubChem CID 62752365) has the molecular formula C11H15N5S2 and a molecular weight of 281.41 g/mol. Its IUPAC name is [2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
PubChem CID62752365
Molecular FormulaC11H15N5S2
Molecular Weight281.41 g/mol
Exact Mass281.08
IUPAC Name[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(N2CCN(c3nccs3)CC2)s1
InChIInChI=1S/C11H15N5S2/c12-7-9-8-14-11(18-9)16-4-2-15(3-5-16)10-13-1-6-17-10/h1,6,8H,2-5,7,12H2
InChIKeyFHOVJNLLWPSRGG-UHFFFAOYSA-N
XLogP1.38
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(azetidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 130548481
[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62750144
[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine
CID 62751202
1-[5-(aminomethyl)-1,3-thiazol-2-yl]-1,4-diazepan-5-one
CID 62999023
[6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridinyl]methanamine
CID 43528572
1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone
CID 62757440
[5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62423654
[5-chloro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridinyl]methanamine
CID 62298416
[2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 65287071
N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111822090
[6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]methanamine
CID 106905543
actinium;5-chloro-2-piperazin-4-id-1-yl-1,3-thiazole;2-piperazin-4-id-1-yl-1,3-thiazole
CID 158796058

Frequently Asked Questions

What is the IUPAC name of [2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine (CID 62752365) is [2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine is NCc1cnc(N2CCN(c3nccs3)CC2)s1.
What is the InChIKey of [2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is FHOVJNLLWPSRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S2/c12-7-9-8-14-11(18-9)16-4-2-15(3-5-16)10-13-1-6-17-10/h1,6,8H,2-5,7,12H2.
What are the key properties of [2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine?
[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 281.41 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 62752365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).