N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine

C11H18N6S — CID 54885215

IUPACN,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCc2ncn[nH]2)s1
InChIInChI=1S/C11H18N6S/c1-3-17(4-2)11-13-6-9(18-11)5-12-7-10-14-8-15-16-10/h6,8,12H,3-5,7H2,1-2H3,(H,14,15,16)
InChIKeyWZXIDPHDLBZELJ-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.40
Rot. Bonds7

About N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine

N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 54885215) has the molecular formula C11H18N6S and a molecular weight of 266.37 g/mol. Its IUPAC name is N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine
PubChem CID54885215
Molecular FormulaC11H18N6S
Molecular Weight266.37 g/mol
Exact Mass266.13
IUPAC NameN,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCc2ncn[nH]2)s1
InChIInChI=1S/C11H18N6S/c1-3-17(4-2)11-13-6-9(18-11)5-12-7-10-14-8-15-16-10/h6,8,12H,3-5,7H2,1-2H3,(H,14,15,16)
InChIKeyWZXIDPHDLBZELJ-UHFFFAOYSA-N
XLogP1.40
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine (CID 54885215) is N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNCc2ncn[nH]2)s1.
What is the InChIKey of N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is WZXIDPHDLBZELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6S/c1-3-17(4-2)11-13-6-9(18-11)5-12-7-10-14-8-15-16-10/h6,8,12H,3-5,7H2,1-2H3,(H,14,15,16).
What are the key properties of N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 266.37 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 54885215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).