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

C13H18N4OS — CID 62423654

IUPAC[5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine
SMILESNCc1ccc(CN2CCN(c3nccs3)CC2)o1
InChIInChI=1S/C13H18N4OS/c14-9-11-1-2-12(18-11)10-16-4-6-17(7-5-16)13-15-3-8-19-13/h1-3,8H,4-7,9-10,14H2
InChIKeyAQJDRIJEIBLEOM-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.52
Rot. Bonds4

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

[5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine (PubChem CID 62423654) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is [5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine
PubChem CID62423654
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name[5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine
SMILESNCc1ccc(CN2CCN(c3nccs3)CC2)o1
InChIInChI=1S/C13H18N4OS/c14-9-11-1-2-12(18-11)10-16-4-6-17(7-5-16)13-15-3-8-19-13/h1-3,8H,4-7,9-10,14H2
InChIKeyAQJDRIJEIBLEOM-UHFFFAOYSA-N
XLogP1.52
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]methanamine
CID 106905543
2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-3-carboxylic acid
CID 43477707
[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 62752365
2-fluoro-3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]aniline
CID 107347197
[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine
CID 62471387
[6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine
CID 79243138
[5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62419652
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531
[5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62417134
1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]pyrazol-3-amine
CID 63318325
5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1H-1,2,4-triazol-3-amine
CID 169040469
N-methyl-1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methanamine
CID 62425656

Frequently Asked Questions

What is the IUPAC name of [5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine?
The IUPAC name of [5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine (CID 62423654) is [5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine.
What is the SMILES notation for [5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine?
The canonical SMILES for [5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine is NCc1ccc(CN2CCN(c3nccs3)CC2)o1.
What is the InChIKey of [5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine?
The InChIKey is AQJDRIJEIBLEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c14-9-11-1-2-12(18-11)10-16-4-6-17(7-5-16)13-15-3-8-19-13/h1-3,8H,4-7,9-10,14H2.
What are the key properties of [5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine?
[5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine has a molecular weight of 278.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62423654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).