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

C10H12N4S2 — CID 683952

IUPAC4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCc1cc(C)nc(SCc2csc(N)n2)n1
InChIInChI=1S/C10H12N4S2/c1-6-3-7(2)13-10(12-6)16-5-8-4-15-9(11)14-8/h3-4H,5H2,1-2H3,(H2,11,14)
InChIKeyHYCUPSKSAVNNGT-UHFFFAOYSA-N
MW252.37 g/mol
LogP2.42
Rot. Bonds3

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

4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine (PubChem CID 683952) has the molecular formula C10H12N4S2 and a molecular weight of 252.37 g/mol. Its IUPAC name is 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
PubChem CID683952
Molecular FormulaC10H12N4S2
Molecular Weight252.37 g/mol
Exact Mass252.05
IUPAC Name4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCc1cc(C)nc(SCc2csc(N)n2)n1
InChIInChI=1S/C10H12N4S2/c1-6-3-7(2)13-10(12-6)16-5-8-4-15-9(11)14-8/h3-4H,5H2,1-2H3,(H2,11,14)
InChIKeyHYCUPSKSAVNNGT-UHFFFAOYSA-N
XLogP2.42
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine (CID 683952) is 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine is Cc1cc(C)nc(SCc2csc(N)n2)n1.
What is the InChIKey of 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The InChIKey is HYCUPSKSAVNNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S2/c1-6-3-7(2)13-10(12-6)16-5-8-4-15-9(11)14-8/h3-4H,5H2,1-2H3,(H2,11,14).
What are the key properties of 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine has a molecular weight of 252.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 683952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).