2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-3-amine

C11H15N3S2 — CID 66386414

IUPAC2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-3-amine
SMILESCc1csc(C(C)NCc2sccc2N)n1
InChIInChI=1S/C11H15N3S2/c1-7-6-16-11(14-7)8(2)13-5-10-9(12)3-4-15-10/h3-4,6,8,13H,5,12H2,1-2H3
InChIKeyLLTKAGACFSJZPZ-UHFFFAOYSA-N
MW253.40 g/mol
LogP2.95
Rot. Bonds4

About 2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-3-amine

2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-3-amine (PubChem CID 66386414) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is 2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-3-amine
PubChem CID66386414
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC Name2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-3-amine
SMILESCc1csc(C(C)NCc2sccc2N)n1
InChIInChI=1S/C11H15N3S2/c1-7-6-16-11(14-7)8(2)13-5-10-9(12)3-4-15-10/h3-4,6,8,13H,5,12H2,1-2H3
InChIKeyLLTKAGACFSJZPZ-UHFFFAOYSA-N
XLogP2.95
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 63095222
2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]quinolin-4-amine
CID 115485916
2-[(3-methylbutan-2-ylamino)methyl]thiophen-3-amine
CID 66386521
N-[(2,3-difluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63719201
2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]thiophen-3-amine
CID 81351915
2-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]thiophen-3-amine
CID 81360179
N-(furan-3-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091781
2-[[1-(3,4-dichlorophenyl)ethylamino]methyl]thiophen-3-amine
CID 66386508
1-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 63089651
2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]thiophen-3-amine
CID 81403332
N-[(3-chlorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63096277
N-[(3,4-dibromophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115693156

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-3-amine (CID 66386414) is 2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-3-amine is Cc1csc(C(C)NCc2sccc2N)n1.
What is the InChIKey of 2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-3-amine?
The InChIKey is LLTKAGACFSJZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-7-6-16-11(14-7)8(2)13-5-10-9(12)3-4-15-10/h3-4,6,8,13H,5,12H2,1-2H3.
What are the key properties of 2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-3-amine?
2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-3-amine has a molecular weight of 253.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-3-amine is sourced from PubChem (CID 66386414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).