5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine

C10H13N5S2 — CID 2952996

IUPAC5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CSc2nc(C)cc(C)n2)s1
InChIInChI=1S/C10H13N5S2/c1-6-4-7(2)13-10(12-6)16-5-8-14-15-9(11-3)17-8/h4H,5H2,1-3H3,(H,11,15)
InChIKeyWDVXWLPCQQHNMA-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.28
Rot. Bonds4

About 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine

5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 2952996) has the molecular formula C10H13N5S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID2952996
Molecular FormulaC10H13N5S2
Molecular Weight267.38 g/mol
Exact Mass267.06
IUPAC Name5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CSc2nc(C)cc(C)n2)s1
InChIInChI=1S/C10H13N5S2/c1-6-4-7(2)13-10(12-6)16-5-8-14-15-9(11-3)17-8/h4H,5H2,1-3H3,(H,11,15)
InChIKeyWDVXWLPCQQHNMA-UHFFFAOYSA-N
XLogP2.28
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 2952996) is 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(CSc2nc(C)cc(C)n2)s1.
What is the InChIKey of 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is WDVXWLPCQQHNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S2/c1-6-4-7(2)13-10(12-6)16-5-8-14-15-9(11-3)17-8/h4H,5H2,1-3H3,(H,11,15).
What are the key properties of 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 267.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2952996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).