1-(1,3-thiazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine

C8H9N3S2 — CID 104588989

IUPAC1-(1,3-thiazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESc1ncc(CNCc2cncs2)s1
InChIInChI=1S/C8H9N3S2/c1(7-3-10-5-12-7)9-2-8-4-11-6-13-8/h3-6,9H,1-2H2
InChIKeyZWEBLZMVHASQJO-UHFFFAOYSA-N
MW211.32 g/mol
LogP1.89
Rot. Bonds4

About 1-(1,3-thiazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine

1-(1,3-thiazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine (PubChem CID 104588989) has the molecular formula C8H9N3S2 and a molecular weight of 211.32 g/mol. Its IUPAC name is 1-(1,3-thiazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1,3-thiazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
PubChem CID104588989
Molecular FormulaC8H9N3S2
Molecular Weight211.32 g/mol
Exact Mass211.02
IUPAC Name1-(1,3-thiazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESc1ncc(CNCc2cncs2)s1
InChIInChI=1S/C8H9N3S2/c1(7-3-10-5-12-7)9-2-8-4-11-6-13-8/h3-6,9H,1-2H2
InChIKeyZWEBLZMVHASQJO-UHFFFAOYSA-N
XLogP1.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(1,3-thiazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine (CID 104588989) is 1-(1,3-thiazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(1,3-thiazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(1,3-thiazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine is c1ncc(CNCc2cncs2)s1.
What is the InChIKey of 1-(1,3-thiazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The InChIKey is ZWEBLZMVHASQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S2/c1(7-3-10-5-12-7)9-2-8-4-11-6-13-8/h3-6,9H,1-2H2.
What are the key properties of 1-(1,3-thiazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
1-(1,3-thiazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine has a molecular weight of 211.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine is sourced from PubChem (CID 104588989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).