5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine

C8H9N3S2 — CID 58672133

IUPAC5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2ncc(C)s2)s1
InChIInChI=1S/C8H9N3S2/c1-5-3-9-7(12-5)11-8-10-4-6(2)13-8/h3-4H,1-2H3,(H,9,10,11)
InChIKeyVUPNVFYYDLIWBX-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.96
Rot. Bonds2

About 5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine

5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine (PubChem CID 58672133) has the molecular formula C8H9N3S2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
PubChem CID58672133
Molecular FormulaC8H9N3S2
Molecular Weight211.31 g/mol
Exact Mass211.02
IUPAC Name5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2ncc(C)s2)s1
InChIInChI=1S/C8H9N3S2/c1-5-3-9-7(12-5)11-8-10-4-6(2)13-8/h3-4H,1-2H3,(H,9,10,11)
InChIKeyVUPNVFYYDLIWBX-UHFFFAOYSA-N
XLogP2.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine (CID 58672133) is 5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine is Cc1cnc(Nc2ncc(C)s2)s1.
What is the InChIKey of 5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The InChIKey is VUPNVFYYDLIWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S2/c1-5-3-9-7(12-5)11-8-10-4-6(2)13-8/h3-4H,1-2H3,(H,9,10,11).
What are the key properties of 5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine has a molecular weight of 211.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58672133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).