N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine

C11H17N5S — CID 77087286

IUPACN-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
SMILESCC(C)n1cnnc1CN(C)Cc1cscn1
InChIInChI=1S/C11H17N5S/c1-9(2)16-7-13-14-11(16)5-15(3)4-10-6-17-8-12-10/h6-9H,4-5H2,1-3H3
InChIKeyZDRWXLZNYJSLCX-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.95
Rot. Bonds5

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

N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine (PubChem CID 77087286) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
PubChem CID77087286
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC NameN-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
SMILESCC(C)n1cnnc1CN(C)Cc1cscn1
InChIInChI=1S/C11H17N5S/c1-9(2)16-7-13-14-11(16)5-15(3)4-10-6-17-8-12-10/h6-9H,4-5H2,1-3H3
InChIKeyZDRWXLZNYJSLCX-UHFFFAOYSA-N
XLogP1.95
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine 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-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine (CID 77087286) is N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine is CC(C)n1cnnc1CN(C)Cc1cscn1.
What is the InChIKey of N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
The InChIKey is ZDRWXLZNYJSLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-9(2)16-7-13-14-11(16)5-15(3)4-10-6-17-8-12-10/h6-9H,4-5H2,1-3H3.
What are the key properties of N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine has a molecular weight of 251.36 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 77087286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).