2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine

C7H6N4S2 — CID 116798231

IUPAC2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
SMILESNc1ccnc(Sc2nccs2)n1
InChIInChI=1S/C7H6N4S2/c8-5-1-2-9-6(11-5)13-7-10-3-4-12-7/h1-4H,(H2,8,9,11)
InChIKeyUTENFQYPINFHOT-UHFFFAOYSA-N
MW210.29 g/mol
LogP1.67
Rot. Bonds2

About 2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine

2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine (PubChem CID 116798231) has the molecular formula C7H6N4S2 and a molecular weight of 210.29 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
PubChem CID116798231
Molecular FormulaC7H6N4S2
Molecular Weight210.29 g/mol
Exact Mass210.00
IUPAC Name2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
SMILESNc1ccnc(Sc2nccs2)n1
InChIInChI=1S/C7H6N4S2/c8-5-1-2-9-6(11-5)13-7-10-3-4-12-7/h1-4H,(H2,8,9,11)
InChIKeyUTENFQYPINFHOT-UHFFFAOYSA-N
XLogP1.67
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine (CID 116798231) is 2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine is Nc1ccnc(Sc2nccs2)n1.
What is the InChIKey of 2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine?
The InChIKey is UTENFQYPINFHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4S2/c8-5-1-2-9-6(11-5)13-7-10-3-4-12-7/h1-4H,(H2,8,9,11).
What are the key properties of 2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine?
2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine has a molecular weight of 210.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 116798231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).