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

C11H16N4S2 — CID 66385278

IUPAC1-[4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(CNC(C)c2nccs2)cs1
InChIInChI=1S/C11H16N4S2/c1-7(12)10-15-9(6-17-10)5-14-8(2)11-13-3-4-16-11/h3-4,6-8,14H,5,12H2,1-2H3
InChIKeyUDOPRVLREMOBEE-UHFFFAOYSA-N
MW268.41 g/mol
LogP2.47
Rot. Bonds5

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

1-[4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]ethanamine (PubChem CID 66385278) has the molecular formula C11H16N4S2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 1-[4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]ethanamine
PubChem CID66385278
Molecular FormulaC11H16N4S2
Molecular Weight268.41 g/mol
Exact Mass268.08
IUPAC Name1-[4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(CNC(C)c2nccs2)cs1
InChIInChI=1S/C11H16N4S2/c1-7(12)10-15-9(6-17-10)5-14-8(2)11-13-3-4-16-11/h3-4,6-8,14H,5,12H2,1-2H3
InChIKeyUDOPRVLREMOBEE-UHFFFAOYSA-N
XLogP2.47
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63598448
(1R)-N-(pyridin-2-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366214
N-[(5-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 80709978
(1R)-1-(4-ethyl-1,3-thiazol-2-yl)ethanamine
CID 42077975
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 114326972
(1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366218
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
N-[(4-tert-butylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63600035
1-[4-[(benzylamino)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66388061
4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380378
2-amino-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide
CID 103253585
N-[(3,4-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63599165

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]ethanamine (CID 66385278) is 1-[4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]ethanamine is CC(N)c1nc(CNC(C)c2nccs2)cs1.
What is the InChIKey of 1-[4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]ethanamine?
The InChIKey is UDOPRVLREMOBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S2/c1-7(12)10-15-9(6-17-10)5-14-8(2)11-13-3-4-16-11/h3-4,6-8,14H,5,12H2,1-2H3.
What are the key properties of 1-[4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]ethanamine?
1-[4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]ethanamine has a molecular weight of 268.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 66385278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).