2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-4-amine

C12H14N2S2 — CID 116864233

IUPAC2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-4-amine
SMILESCC(C)Sc1ccc(-c2nc(N)cs2)cc1
InChIInChI=1S/C12H14N2S2/c1-8(2)16-10-5-3-9(4-6-10)12-14-11(13)7-15-12/h3-8H,13H2,1-2H3
InChIKeyPERZXPKETGEAKN-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.89
Rot. Bonds3

About 2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-4-amine

2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-4-amine (PubChem CID 116864233) has the molecular formula C12H14N2S2 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-4-amine
PubChem CID116864233
Molecular FormulaC12H14N2S2
Molecular Weight250.39 g/mol
Exact Mass250.06
IUPAC Name2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-4-amine
SMILESCC(C)Sc1ccc(-c2nc(N)cs2)cc1
InChIInChI=1S/C12H14N2S2/c1-8(2)16-10-5-3-9(4-6-10)12-14-11(13)7-15-12/h3-8H,13H2,1-2H3
InChIKeyPERZXPKETGEAKN-UHFFFAOYSA-N
XLogP3.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazole
CID 116891814
2-propan-2-ylsulfanyl-1,3-thiazol-4-amine
CID 117189260
2-(4-chloro-3-propan-2-ylphenyl)-1,3-thiazol-4-amine
CID 145049362
5-bromo-4-methyl-2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazole
CID 116887917
[4-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]methanol
CID 116867448
4-chloro-2-[4-(difluoromethylsulfanyl)phenyl]-1,3-thiazole
CID 83158313
2-(3-bromo-4-methylphenyl)-1,3-thiazol-4-amine
CID 107916044
2-(6-iodo-3-pyridinyl)-1,3-thiazol-4-amine
CID 135232785
2-pyridazin-4-yl-1,3-thiazol-4-amine
CID 162678923
1-[2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-4-yl]ethanamine
CID 64543107
ethane;2-(6-ethyl-3-pyridinyl)-1,3-thiazol-4-amine
CID 143780879
[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]hydrazine
CID 116892116

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-4-amine?
The IUPAC name of 2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-4-amine (CID 116864233) is 2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-4-amine is CC(C)Sc1ccc(-c2nc(N)cs2)cc1.
What is the InChIKey of 2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-4-amine?
The InChIKey is PERZXPKETGEAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S2/c1-8(2)16-10-5-3-9(4-6-10)12-14-11(13)7-15-12/h3-8H,13H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-4-amine?
2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-4-amine has a molecular weight of 250.39 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 116864233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).