3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]propan-1-amine

C10H11ClN2OS — CID 115089134

IUPAC3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]propan-1-amine
SMILESNCCCc1csc(-c2ccc(Cl)o2)n1
InChIInChI=1S/C10H11ClN2OS/c11-9-4-3-8(14-9)10-13-7(6-15-10)2-1-5-12/h3-4,6H,1-2,5,12H2
InChIKeyUKAILQIILPUIGT-UHFFFAOYSA-N
MW242.73 g/mol
LogP2.95
Rot. Bonds4

About 3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]propan-1-amine

3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]propan-1-amine (PubChem CID 115089134) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is 3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]propan-1-amine
PubChem CID115089134
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]propan-1-amine
SMILESNCCCc1csc(-c2ccc(Cl)o2)n1
InChIInChI=1S/C10H11ClN2OS/c11-9-4-3-8(14-9)10-13-7(6-15-10)2-1-5-12/h3-4,6H,1-2,5,12H2
InChIKeyUKAILQIILPUIGT-UHFFFAOYSA-N
XLogP2.95
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
CID 115089135
2-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 115089115
1-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]propan-2-ol
CID 115089071
3-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 106690471
3-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-amine
CID 116888287
3-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]propan-1-amine
CID 116888275
3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propan-1-amine
CID 69235596
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanethiol
CID 116889582
3-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]propan-1-amine
CID 116888272
2-(2-chloro-1,3-thiazol-4-yl)ethanamine
CID 70439393
2-[2-(5-bromofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 115089119
2-[2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 130162444

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]propan-1-amine?
The IUPAC name of 3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]propan-1-amine (CID 115089134) is 3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]propan-1-amine is NCCCc1csc(-c2ccc(Cl)o2)n1.
What is the InChIKey of 3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]propan-1-amine?
The InChIKey is UKAILQIILPUIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c11-9-4-3-8(14-9)10-13-7(6-15-10)2-1-5-12/h3-4,6H,1-2,5,12H2.
What are the key properties of 3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]propan-1-amine?
3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]propan-1-amine has a molecular weight of 242.73 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]propan-1-amine is sourced from PubChem (CID 115089134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).