1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine

C11H15N3S2 — CID 63831687

IUPAC1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1ncsc1C(C)NCCc1cscn1
InChIInChI=1S/C11H15N3S2/c1-8(11-9(2)13-7-16-11)12-4-3-10-5-15-6-14-10/h5-8,12H,3-4H2,1-2H3
InChIKeyVHCPIHRBARDSQW-UHFFFAOYSA-N
MW253.40 g/mol
LogP2.80
Rot. Bonds5

About 1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine

1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine (PubChem CID 63831687) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
PubChem CID63831687
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC Name1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1ncsc1C(C)NCCc1cscn1
InChIInChI=1S/C11H15N3S2/c1-8(11-9(2)13-7-16-11)12-4-3-10-5-15-6-14-10/h5-8,12H,3-4H2,1-2H3
InChIKeyVHCPIHRBARDSQW-UHFFFAOYSA-N
XLogP2.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 63238630
N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 63831315
N'-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 62634392
6-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]hexan-1-ol
CID 115906803
N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 115731927
1-(4-methylsulfanylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 55261999
2,3,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
CID 81338939
N-(2-ethylsulfinylethyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 115718811
N-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethanesulfonamide
CID 102676143
N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylamino]butanamide
CID 115731929
1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 104579913
2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanenitrile
CID 62647813

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine (CID 63831687) is 1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine is Cc1ncsc1C(C)NCCc1cscn1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine?
The InChIKey is VHCPIHRBARDSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-8(11-9(2)13-7-16-11)12-4-3-10-5-15-6-14-10/h5-8,12H,3-4H2,1-2H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine?
1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine has a molecular weight of 253.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 63831687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).