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

C11H10N6S2 — CID 2877714

IUPAC4-methyl-5-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1csc(Nc2ncccn2)n1
InChIInChI=1S/C11H10N6S2/c1-6-8(19-9(12)15-6)7-5-18-11(16-7)17-10-13-3-2-4-14-10/h2-5H,1H3,(H2,12,15)(H,13,14,16,17)
InChIKeyFHVNBKUGDCJKHS-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.69
Rot. Bonds3

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

4-methyl-5-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine (PubChem CID 2877714) has the molecular formula C11H10N6S2 and a molecular weight of 290.38 g/mol. Its IUPAC name is 4-methyl-5-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
PubChem CID2877714
Molecular FormulaC11H10N6S2
Molecular Weight290.38 g/mol
Exact Mass290.04
IUPAC Name4-methyl-5-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1csc(Nc2ncccn2)n1
InChIInChI=1S/C11H10N6S2/c1-6-8(19-9(12)15-6)7-5-18-11(16-7)17-10-13-3-2-4-14-10/h2-5H,1H3,(H2,12,15)(H,13,14,16,17)
InChIKeyFHVNBKUGDCJKHS-UHFFFAOYSA-N
XLogP2.69
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine (CID 2877714) is 4-methyl-5-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1csc(Nc2ncccn2)n1.
What is the InChIKey of 4-methyl-5-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
The InChIKey is FHVNBKUGDCJKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6S2/c1-6-8(19-9(12)15-6)7-5-18-11(16-7)17-10-13-3-2-4-14-10/h2-5H,1H3,(H2,12,15)(H,13,14,16,17).
What are the key properties of 4-methyl-5-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
4-methyl-5-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine has a molecular weight of 290.38 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2877714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).