1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]propan-2-amine

C14H14N2OS — CID 170891330

IUPAC1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]propan-2-amine
SMILESCC(N)Cc1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C14H14N2OS/c1-9(15)8-10-6-7-12(17-10)14-16-11-4-2-3-5-13(11)18-14/h2-7,9H,8,15H2,1H3
InChIKeyQSQPAVXVZMRENQ-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.45
Rot. Bonds3

About 1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]propan-2-amine

1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]propan-2-amine (PubChem CID 170891330) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]propan-2-amine
PubChem CID170891330
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]propan-2-amine
SMILESCC(N)Cc1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C14H14N2OS/c1-9(15)8-10-6-7-12(17-10)14-16-11-4-2-3-5-13(11)18-14/h2-7,9H,8,15H2,1H3
InChIKeyQSQPAVXVZMRENQ-UHFFFAOYSA-N
XLogP3.45
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]ethanamine
CID 170888031
2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 854969
4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide
CID 120559538
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methylbutan-1-amine
CID 62693051
N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-propan-2-ylfuran-2-carboxamide
CID 112794144
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide
CID 46456159
2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylamino]butan-1-ol
CID 43215803
3-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylamino]-4-methylsulfanylbutan-1-ol
CID 111449592
1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892932
1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724345
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]prop-2-en-1-amine
CID 43215838
1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylamino]-3-methoxypropan-2-ol
CID 111423035

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]propan-2-amine?
The IUPAC name of 1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]propan-2-amine (CID 170891330) is 1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]propan-2-amine?
The canonical SMILES for 1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]propan-2-amine is CC(N)Cc1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of 1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]propan-2-amine?
The InChIKey is QSQPAVXVZMRENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-9(15)8-10-6-7-12(17-10)14-16-11-4-2-3-5-13(11)18-14/h2-7,9H,8,15H2,1H3.
What are the key properties of 1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]propan-2-amine?
1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]propan-2-amine has a molecular weight of 258.35 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]propan-2-amine is sourced from PubChem (CID 170891330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).