2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-1-amine

C12H16N2S2 — CID 83977655

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-1-amine
SMILESCc1nc(C(CN)Cc2cccs2)sc1C
InChIInChI=1S/C12H16N2S2/c1-8-9(2)16-12(14-8)10(7-13)6-11-4-3-5-15-11/h3-5,10H,6-7,13H2,1-2H3
InChIKeyIGTQPJPGSSJZEF-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.11
Rot. Bonds4

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-1-amine

2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 83977655) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-1-amine
PubChem CID83977655
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-1-amine
SMILESCc1nc(C(CN)Cc2cccs2)sc1C
InChIInChI=1S/C12H16N2S2/c1-8-9(2)16-12(14-8)10(7-13)6-11-4-3-5-15-11/h3-5,10H,6-7,13H2,1-2H3
InChIKeyIGTQPJPGSSJZEF-UHFFFAOYSA-N
XLogP3.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)-3-thiophen-2-ylpropan-1-amine
CID 79016135
1-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylethanamine
CID 43314623
1-benzothiophen-3-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
CID 55108307
2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 79476562
1-(2,6-dimethyl-4-pyridinyl)-2-thiophen-2-ylethanol
CID 107502914
N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 79436154
4-amino-1-thiophen-2-ylbutan-2-ol
CID 71778098
(1S)-1-[4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]ethanamine
CID 94587586
4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-amine
CID 130483640
[1-(2-methylthiophen-3-yl)-2-thiophen-2-ylethyl]hydrazine
CID 102842712
1-(3-methylthiophen-2-yl)-2-thiophen-2-ylethanamine
CID 61079972
(2S)-4,4,4-trifluoro-2-(thiophen-2-ylmethyl)butan-1-amine
CID 129494621

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-1-amine (CID 83977655) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-1-amine is Cc1nc(C(CN)Cc2cccs2)sc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is IGTQPJPGSSJZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-8-9(2)16-12(14-8)10(7-13)6-11-4-3-5-15-11/h3-5,10H,6-7,13H2,1-2H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-1-amine?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 252.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 83977655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).