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

C12H17N3S2 — CID 103741081

IUPAC1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCCc1cnc(CNCc2cnc(CC)s2)s1
InChIInChI=1S/C12H17N3S2/c1-3-9-6-15-12(16-9)8-13-5-10-7-14-11(4-2)17-10/h6-7,13H,3-5,8H2,1-2H3
InChIKeyKQVGFCMITUWERH-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.01
Rot. Bonds6

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

1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 103741081) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID103741081
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC Name1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCCc1cnc(CNCc2cnc(CC)s2)s1
InChIInChI=1S/C12H17N3S2/c1-3-9-6-15-12(16-9)8-13-5-10-7-14-11(4-2)17-10/h6-7,13H,3-5,8H2,1-2H3
InChIKeyKQVGFCMITUWERH-UHFFFAOYSA-N
XLogP3.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)methanamine
CID 104879256
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 61043119
2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 60982756
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol
CID 65107863
1-(4-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103701879
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)methanamine
CID 115656584
2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684331
N'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 60982775
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 63302222
methyl 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]propanoate
CID 60982151
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 103701865

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine (CID 103741081) is 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine is CCc1cnc(CNCc2cnc(CC)s2)s1.
What is the InChIKey of 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is KQVGFCMITUWERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-3-9-6-15-12(16-9)8-13-5-10-7-14-11(4-2)17-10/h6-7,13H,3-5,8H2,1-2H3.
What are the key properties of 1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine?
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 267.42 g/mol, XLogP of 3.01, 6 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-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 103741081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).