2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile

C8H5N5S2 — CID 107551401

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile
SMILESCc1nnc(Sc2nccc(C#N)n2)s1
InChIInChI=1S/C8H5N5S2/c1-5-12-13-8(14-5)15-7-10-3-2-6(4-9)11-7/h2-3H,1H3
InChIKeyNGVLZGOVMNTIDY-UHFFFAOYSA-N
MW235.30 g/mol
LogP1.66
Rot. Bonds2

About 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile (PubChem CID 107551401) has the molecular formula C8H5N5S2 and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile
PubChem CID107551401
Molecular FormulaC8H5N5S2
Molecular Weight235.30 g/mol
Exact Mass235.00
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile
SMILESCc1nnc(Sc2nccc(C#N)n2)s1
InChIInChI=1S/C8H5N5S2/c1-5-12-13-8(14-5)15-7-10-3-2-6(4-9)11-7/h2-3H,1H3
InChIKeyNGVLZGOVMNTIDY-UHFFFAOYSA-N
XLogP1.66
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551348
[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-yl]methanamine
CID 107552293
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551522
2-(1-methyltetrazol-5-yl)sulfanylpyrimidine-4-carbonitrile
CID 107551300
2-pyridin-2-ylsulfanylpyrimidine-4-carbonitrile
CID 107551327
2-(2-hydroxyphenyl)sulfanylpyrimidine-4-carbonitrile
CID 107552913
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551511
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine
CID 91019805
2-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine-4-carbonitrile
CID 107551304
N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 80886182
2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 62870633
2-[(2-chloro-4-pyridinyl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 63778675

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile (CID 107551401) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile is Cc1nnc(Sc2nccc(C#N)n2)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile?
The InChIKey is NGVLZGOVMNTIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5S2/c1-5-12-13-8(14-5)15-7-10-3-2-6(4-9)11-7/h2-3H,1H3.
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile has a molecular weight of 235.30 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107551401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).