4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine

C12H11N5S2 — CID 2867228

IUPAC4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1csc(Nc2ccccn2)n1
InChIInChI=1S/C12H11N5S2/c1-7-10(19-11(13)15-7)8-6-18-12(16-8)17-9-4-2-3-5-14-9/h2-6H,1H3,(H2,13,15)(H,14,16,17)
InChIKeyHCQIWJDOEHFBDB-UHFFFAOYSA-N
MW289.39 g/mol
LogP3.30
Rot. Bonds3

About 4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine

4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine (PubChem CID 2867228) has the molecular formula C12H11N5S2 and a molecular weight of 289.39 g/mol. Its IUPAC name is 4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
PubChem CID2867228
Molecular FormulaC12H11N5S2
Molecular Weight289.39 g/mol
Exact Mass289.05
IUPAC Name4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1csc(Nc2ccccn2)n1
InChIInChI=1S/C12H11N5S2/c1-7-10(19-11(13)15-7)8-6-18-12(16-8)17-9-4-2-3-5-14-9/h2-6H,1H3,(H2,13,15)(H,14,16,17)
InChIKeyHCQIWJDOEHFBDB-UHFFFAOYSA-N
XLogP3.30
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_A(4)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine (CID 2867228) is 4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1csc(Nc2ccccn2)n1.
What is the InChIKey of 4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
The InChIKey is HCQIWJDOEHFBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S2/c1-7-10(19-11(13)15-7)8-6-18-12(16-8)17-9-4-2-3-5-14-9/h2-6H,1H3,(H2,13,15)(H,14,16,17).
What are the key properties of 4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine has a molecular weight of 289.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2867228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).