N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine

C12H16N6S — CID 106281929

IUPACN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCc1nc2scc(C)n2c1CNC(C)c1ncn[nH]1
InChIInChI=1S/C12H16N6S/c1-7-5-19-12-16-8(2)10(18(7)12)4-13-9(3)11-14-6-15-17-11/h5-6,9,13H,4H2,1-3H3,(H,14,15,17)
InChIKeyDECTWSLQLSVCNH-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.98
Rot. Bonds4

About N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 106281929) has the molecular formula C12H16N6S and a molecular weight of 276.37 g/mol. Its IUPAC name is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID106281929
Molecular FormulaC12H16N6S
Molecular Weight276.37 g/mol
Exact Mass276.12
IUPAC NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCc1nc2scc(C)n2c1CNC(C)c1ncn[nH]1
InChIInChI=1S/C12H16N6S/c1-7-5-19-12-16-8(2)10(18(7)12)4-13-9(3)11-14-6-15-17-11/h5-6,9,13H,4H2,1-3H3,(H,14,15,17)
InChIKeyDECTWSLQLSVCNH-UHFFFAOYSA-N
XLogP1.98
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine (CID 106281929) is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine is Cc1nc2scc(C)n2c1CNC(C)c1ncn[nH]1.
What is the InChIKey of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is DECTWSLQLSVCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6S/c1-7-5-19-12-16-8(2)10(18(7)12)4-13-9(3)11-14-6-15-17-11/h5-6,9,13H,4H2,1-3H3,(H,14,15,17).
What are the key properties of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 276.37 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 106281929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).