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

C9H11N3S2 — CID 131042698

IUPACN-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methanamine
SMILESCNCc1ncc(-c2csc(C)n2)s1
InChIInChI=1S/C9H11N3S2/c1-6-12-7(5-13-6)8-3-11-9(14-8)4-10-2/h3,5,10H,4H2,1-2H3
InChIKeyYRHPLFDBWXGLMO-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.29
Rot. Bonds3

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

N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methanamine (PubChem CID 131042698) has the molecular formula C9H11N3S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methanamine
PubChem CID131042698
Molecular FormulaC9H11N3S2
Molecular Weight225.34 g/mol
Exact Mass225.04
IUPAC NameN-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methanamine
SMILESCNCc1ncc(-c2csc(C)n2)s1
InChIInChI=1S/C9H11N3S2/c1-6-12-7(5-13-6)8-3-11-9(14-8)4-10-2/h3,5,10H,4H2,1-2H3
InChIKeyYRHPLFDBWXGLMO-UHFFFAOYSA-N
XLogP2.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methanamine (CID 131042698) is N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methanamine is CNCc1ncc(-c2csc(C)n2)s1.
What is the InChIKey of N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is YRHPLFDBWXGLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S2/c1-6-12-7(5-13-6)8-3-11-9(14-8)4-10-2/h3,5,10H,4H2,1-2H3.
What are the key properties of N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methanamine?
N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 225.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 131042698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).