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

C12H17N3S2 — CID 112697003

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCc1nc(CNC(C)c2ncc(C)s2)cs1
InChIInChI=1S/C12H17N3S2/c1-4-11-15-10(7-16-11)6-13-9(3)12-14-5-8(2)17-12/h5,7,9,13H,4,6H2,1-3H3
InChIKeyAICIOQCEBPVMKR-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.32
Rot. Bonds5

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

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 112697003) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID112697003
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCc1nc(CNC(C)c2ncc(C)s2)cs1
InChIInChI=1S/C12H17N3S2/c1-4-11-15-10(7-16-11)6-13-9(3)12-14-5-8(2)17-12/h5,7,9,13H,4,6H2,1-3H3
InChIKeyAICIOQCEBPVMKR-UHFFFAOYSA-N
XLogP3.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 71923332
Bisaminomethylbithiazole
CID 66747537
Dimethylbithiazole
CID 69525426
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
CID 75380784
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 75513988
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783183
N-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106783541
N-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106783542
N-[(2-methyl-1,3-thiazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106786078
N-[(2-methyl-1,3-thiazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106786087
2-Methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111616509
1-Ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 112070888

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine (CID 112697003) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine is CCc1nc(CNC(C)c2ncc(C)s2)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is AICIOQCEBPVMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-4-11-15-10(7-16-11)6-13-9(3)12-14-5-8(2)17-12/h5,7,9,13H,4,6H2,1-3H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 267.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 112697003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).