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

C8H9N3S2 — CID 130604821

IUPACN-methyl-1-[5-(1,2-thiazol-3-yl)-1,3-thiazol-2-yl]methanamine
SMILESCNCc1ncc(-c2ccsn2)s1
InChIInChI=1S/C8H9N3S2/c1-9-5-8-10-4-7(13-8)6-2-3-12-11-6/h2-4,9H,5H2,1H3
InChIKeyICMWSBUTJAPTQM-UHFFFAOYSA-N
MW211.32 g/mol
LogP1.99
Rot. Bonds3

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

N-methyl-1-[5-(1,2-thiazol-3-yl)-1,3-thiazol-2-yl]methanamine (PubChem CID 130604821) has the molecular formula C8H9N3S2 and a molecular weight of 211.32 g/mol. Its IUPAC name is N-methyl-1-[5-(1,2-thiazol-3-yl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(1,2-thiazol-3-yl)-1,3-thiazol-2-yl]methanamine
PubChem CID130604821
Molecular FormulaC8H9N3S2
Molecular Weight211.32 g/mol
Exact Mass211.02
IUPAC NameN-methyl-1-[5-(1,2-thiazol-3-yl)-1,3-thiazol-2-yl]methanamine
SMILESCNCc1ncc(-c2ccsn2)s1
InChIInChI=1S/C8H9N3S2/c1-9-5-8-10-4-7(13-8)6-2-3-12-11-6/h2-4,9H,5H2,1H3
InChIKeyICMWSBUTJAPTQM-UHFFFAOYSA-N
XLogP1.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 51.99
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-(1,2-thiazol-3-yl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(1,2-thiazol-3-yl)-1,3-thiazol-2-yl]methanamine (CID 130604821) is N-methyl-1-[5-(1,2-thiazol-3-yl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(1,2-thiazol-3-yl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(1,2-thiazol-3-yl)-1,3-thiazol-2-yl]methanamine is CNCc1ncc(-c2ccsn2)s1.
What is the InChIKey of N-methyl-1-[5-(1,2-thiazol-3-yl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is ICMWSBUTJAPTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S2/c1-9-5-8-10-4-7(13-8)6-2-3-12-11-6/h2-4,9H,5H2,1H3.
What are the key properties of N-methyl-1-[5-(1,2-thiazol-3-yl)-1,3-thiazol-2-yl]methanamine?
N-methyl-1-[5-(1,2-thiazol-3-yl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 211.32 g/mol, XLogP of 1.99, 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-(1,2-thiazol-3-yl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 130604821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).