5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine

C11H14N4S2 — CID 79775190

IUPAC5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCc1nc(SCc2cnc(N)s2)nc(C)c1C
InChIInChI=1S/C11H14N4S2/c1-6-7(2)14-11(15-8(6)3)16-5-9-4-13-10(12)17-9/h4H,5H2,1-3H3,(H2,12,13)
InChIKeyRPHUJNMKUVEHRE-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.73
Rot. Bonds3

About 5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine

5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine (PubChem CID 79775190) has the molecular formula C11H14N4S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
PubChem CID79775190
Molecular FormulaC11H14N4S2
Molecular Weight266.39 g/mol
Exact Mass266.07
IUPAC Name5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCc1nc(SCc2cnc(N)s2)nc(C)c1C
InChIInChI=1S/C11H14N4S2/c1-6-7(2)14-11(15-8(6)3)16-5-9-4-13-10(12)17-9/h4H,5H2,1-3H3,(H2,12,13)
InChIKeyRPHUJNMKUVEHRE-UHFFFAOYSA-N
XLogP2.73
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine (CID 79775190) is 5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine is Cc1nc(SCc2cnc(N)s2)nc(C)c1C.
What is the InChIKey of 5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The InChIKey is RPHUJNMKUVEHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S2/c1-6-7(2)14-11(15-8(6)3)16-5-9-4-13-10(12)17-9/h4H,5H2,1-3H3,(H2,12,13).
What are the key properties of 5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine has a molecular weight of 266.39 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79775190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).