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

C12H16N2S2 — CID 116884531

IUPAC2-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCc1ccsc1-c1nc(C)c(C(C)(C)N)s1
InChIInChI=1S/C12H16N2S2/c1-7-5-6-15-9(7)11-14-8(2)10(16-11)12(3,4)13/h5-6H,13H2,1-4H3
InChIKeyQBHOHVGGBHKEOU-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.68
Rot. Bonds2

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

2-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 116884531) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 2-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine
PubChem CID116884531
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name2-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCc1ccsc1-c1nc(C)c(C(C)(C)N)s1
InChIInChI=1S/C12H16N2S2/c1-7-5-6-15-9(7)11-14-8(2)10(16-11)12(3,4)13/h5-6H,13H2,1-4H3
InChIKeyQBHOHVGGBHKEOU-UHFFFAOYSA-N
XLogP3.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(3-methylthiophen-2-yl)-5-(trifluoromethyl)-1,3-thiazole
CID 116887494
4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazole-5-thiol
CID 116885996
N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine
CID 116885891
2,6-bis(3-methylthiophen-2-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 146695728
1-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884665
2-[2-(5-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine
CID 116884511
2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82425850
2-[5-(3-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]guanidine
CID 14140374
[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine
CID 61282401
2-[2-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine
CID 116884518
3-methyl-3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]butan-1-amine
CID 116888474
2,5-bis(3-methylthiophen-2-yl)thiophene-3,4-dicarbonitrile
CID 146403920

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine (CID 116884531) is 2-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine is Cc1ccsc1-c1nc(C)c(C(C)(C)N)s1.
What is the InChIKey of 2-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is QBHOHVGGBHKEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-7-5-6-15-9(7)11-14-8(2)10(16-11)12(3,4)13/h5-6H,13H2,1-4H3.
What are the key properties of 2-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
2-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 252.41 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 116884531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).