N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine

C10H13N5S2 — CID 80613450

IUPACN-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CSc2nccc(C)n2)s1
InChIInChI=1S/C10H13N5S2/c1-3-11-10-15-14-8(17-10)6-16-9-12-5-4-7(2)13-9/h4-5H,3,6H2,1-2H3,(H,11,15)
InChIKeyYEEUPZUEFSVOLF-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.36
Rot. Bonds5

About N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine

N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80613450) has the molecular formula C10H13N5S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
PubChem CID80613450
Molecular FormulaC10H13N5S2
Molecular Weight267.38 g/mol
Exact Mass267.06
IUPAC NameN-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CSc2nccc(C)n2)s1
InChIInChI=1S/C10H13N5S2/c1-3-11-10-15-14-8(17-10)6-16-9-12-5-4-7(2)13-9/h4-5H,3,6H2,1-2H3,(H,11,15)
InChIKeyYEEUPZUEFSVOLF-UHFFFAOYSA-N
XLogP2.36
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine (CID 80613450) is N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(CSc2nccc(C)n2)s1.
What is the InChIKey of N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is YEEUPZUEFSVOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S2/c1-3-11-10-15-14-8(17-10)6-16-9-12-5-4-7(2)13-9/h4-5H,3,6H2,1-2H3,(H,11,15).
What are the key properties of N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 267.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80613450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).