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

C11H15N3S2 — CID 61043119

IUPAC1-(2-ethyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCCc1ncc(CNCc2nc(C)cs2)s1
InChIInChI=1S/C11H15N3S2/c1-3-10-13-5-9(16-10)4-12-6-11-14-8(2)7-15-11/h5,7,12H,3-4,6H2,1-2H3
InChIKeyDSDXHHNDEPCVOP-UHFFFAOYSA-N
MW253.40 g/mol
LogP2.76
Rot. Bonds5

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

1-(2-ethyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 61043119) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-ethyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID61043119
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC Name1-(2-ethyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCCc1ncc(CNCc2nc(C)cs2)s1
InChIInChI=1S/C11H15N3S2/c1-3-10-13-5-9(16-10)4-12-6-11-14-8(2)7-15-11/h5,7,12H,3-4,6H2,1-2H3
InChIKeyDSDXHHNDEPCVOP-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103741081
2-ethyl-4-methyl-1,3-thiazole
CID 27440
1-(4-bromo-5-methylthiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 102834782
2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 60982756
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 61004647
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103702011
azane;2-ethyl-4-methyl-1,3-thiazole
CID 69058661
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 78943713
1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103721557
1-(3-methylimidazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 62998460
1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 60760627
2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684331

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (CID 61043119) is 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is CCc1ncc(CNCc2nc(C)cs2)s1.
What is the InChIKey of 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is DSDXHHNDEPCVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-3-10-13-5-9(16-10)4-12-6-11-14-8(2)7-15-11/h5,7,12H,3-4,6H2,1-2H3.
What are the key properties of 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 253.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 61043119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).