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

C11H15N3S2 — CID 62795004

IUPACN-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(Cc2nc(C)cs2)s1
InChIInChI=1S/C11H15N3S2/c1-7-6-15-11(14-7)4-10-13-5-9(16-10)8(2)12-3/h5-6,8,12H,4H2,1-3H3
InChIKeyDORAHSWPWYOJCQ-UHFFFAOYSA-N
MW253.40 g/mol
LogP2.78
Rot. Bonds4

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

N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]ethanamine (PubChem CID 62795004) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]ethanamine
PubChem CID62795004
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC NameN-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(Cc2nc(C)cs2)s1
InChIInChI=1S/C11H15N3S2/c1-7-6-15-11(14-7)4-10-13-5-9(16-10)8(2)12-3/h5-6,8,12H,4H2,1-3H3
InChIKeyDORAHSWPWYOJCQ-UHFFFAOYSA-N
XLogP2.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 84766702
N-methyl-1-[2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 65131746
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62797218
1-[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine
CID 55102641
N-methyl-1-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]ethanamine
CID 104823163
N,6-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 83161569
N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-5-yl]methyl]propan-1-amine
CID 62796209
4-methoxy-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 78917521
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62796362
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-thiophen-2-ylethanamine
CID 62795850
4-methyl-2-(3-methylbutyl)-1,3-thiazole
CID 115641470
2-ethyl-4-methyl-1,3-thiazole
CID 27440

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]ethanamine (CID 62795004) is N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]ethanamine is CNC(C)c1cnc(Cc2nc(C)cs2)s1.
What is the InChIKey of N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]ethanamine?
The InChIKey is DORAHSWPWYOJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-7-6-15-11(14-7)4-10-13-5-9(16-10)8(2)12-3/h5-6,8,12H,4H2,1-3H3.
What are the key properties of N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]ethanamine?
N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]ethanamine has a molecular weight of 253.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 62795004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).