5-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine

C11H16N4S2 — CID 62754240

IUPAC5-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCCNCc1cnc(N(C)Cc2cscn2)s1
InChIInChI=1S/C11H16N4S2/c1-3-12-4-10-5-13-11(17-10)15(2)6-9-7-16-8-14-9/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyVIDARGYJDBATEW-UHFFFAOYSA-N
MW268.41 g/mol
LogP2.35
Rot. Bonds6

About 5-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine

5-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 62754240) has the molecular formula C11H16N4S2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine
PubChem CID62754240
Molecular FormulaC11H16N4S2
Molecular Weight268.41 g/mol
Exact Mass268.08
IUPAC Name5-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCCNCc1cnc(N(C)Cc2cscn2)s1
InChIInChI=1S/C11H16N4S2/c1-3-12-4-10-5-13-11(17-10)15(2)6-9-7-16-8-14-9/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyVIDARGYJDBATEW-UHFFFAOYSA-N
XLogP2.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 62749898
methyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate
CID 80571139
5-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62753127
5-chloro-4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 114925750
4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 105073172
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
5-(ethylaminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine
CID 62752668
N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine
CID 62426653
N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 55112581
5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 62754965
N-[[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine
CID 55074253
5-(ethylaminomethyl)-N-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 62752893

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine (CID 62754240) is 5-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine is CCNCc1cnc(N(C)Cc2cscn2)s1.
What is the InChIKey of 5-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is VIDARGYJDBATEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S2/c1-3-12-4-10-5-13-11(17-10)15(2)6-9-7-16-8-14-9/h5,7-8,12H,3-4,6H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine?
5-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 268.41 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62754240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).