1-[2-(1,3-thiazol-2-ylsulfanyl)phenyl]propan-1-amine

C12H14N2S2 — CID 112678632

IUPAC1-[2-(1,3-thiazol-2-ylsulfanyl)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1Sc1nccs1
InChIInChI=1S/C12H14N2S2/c1-2-10(13)9-5-3-4-6-11(9)16-12-14-7-8-15-12/h3-8,10H,2,13H2,1H3
InChIKeyFIHCXZBLCUSMKZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.70
Rot. Bonds4

About 1-[2-(1,3-thiazol-2-ylsulfanyl)phenyl]propan-1-amine

1-[2-(1,3-thiazol-2-ylsulfanyl)phenyl]propan-1-amine (PubChem CID 112678632) has the molecular formula C12H14N2S2 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[2-(1,3-thiazol-2-ylsulfanyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-(1,3-thiazol-2-ylsulfanyl)phenyl]propan-1-amine
PubChem CID112678632
Molecular FormulaC12H14N2S2
Molecular Weight250.39 g/mol
Exact Mass250.06
IUPAC Name1-[2-(1,3-thiazol-2-ylsulfanyl)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1Sc1nccs1
InChIInChI=1S/C12H14N2S2/c1-2-10(13)9-5-3-4-6-11(9)16-12-14-7-8-15-12/h3-8,10H,2,13H2,1H3
InChIKeyFIHCXZBLCUSMKZ-UHFFFAOYSA-N
XLogP3.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[2-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine
CID 63370299
(1S)-1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-1-amine
CID 103959625
1-[2-(1,3-oxazol-2-ylsulfanyl)phenyl]propan-1-amine
CID 106923086
2-[2-(1-aminopropyl)phenyl]sulfanyl-1H-pyrimidin-6-one
CID 112678587
1-[2-(4-methylpyrimidin-2-yl)sulfanylphenyl]propan-1-amine
CID 112678650
(1S)-1-(2-methylsulfanylphenyl)propan-1-amine
CID 103663388
2-[2-[(1S)-1-aminopropyl]phenyl]sulfanylpyrimidine-4,6-diamine
CID 103959543
1-[4-(1,3-thiazol-2-ylsulfanyl)phenyl]butan-2-amine
CID 63819041
1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-1-amine
CID 104603281
(1S)-1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-1-amine
CID 113431757
(1S)-1-[5-fluoro-2-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine
CID 78938846
1-(2-butan-2-ylsulfanylphenyl)propan-1-amine
CID 112678521

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-thiazol-2-ylsulfanyl)phenyl]propan-1-amine?
The IUPAC name of 1-[2-(1,3-thiazol-2-ylsulfanyl)phenyl]propan-1-amine (CID 112678632) is 1-[2-(1,3-thiazol-2-ylsulfanyl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-(1,3-thiazol-2-ylsulfanyl)phenyl]propan-1-amine?
The canonical SMILES for 1-[2-(1,3-thiazol-2-ylsulfanyl)phenyl]propan-1-amine is CCC(N)c1ccccc1Sc1nccs1.
What is the InChIKey of 1-[2-(1,3-thiazol-2-ylsulfanyl)phenyl]propan-1-amine?
The InChIKey is FIHCXZBLCUSMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S2/c1-2-10(13)9-5-3-4-6-11(9)16-12-14-7-8-15-12/h3-8,10H,2,13H2,1H3.
What are the key properties of 1-[2-(1,3-thiazol-2-ylsulfanyl)phenyl]propan-1-amine?
1-[2-(1,3-thiazol-2-ylsulfanyl)phenyl]propan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-thiazol-2-ylsulfanyl)phenyl]propan-1-amine is sourced from PubChem (CID 112678632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).