[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-yl]methanamine

C8H9N5S2 — CID 107552293

IUPAC[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-yl]methanamine
SMILESCc1nnc(Sc2nccc(CN)n2)s1
InChIInChI=1S/C8H9N5S2/c1-5-12-13-8(14-5)15-7-10-3-2-6(4-9)11-7/h2-3H,4,9H2,1H3
InChIKeyRMXQFEHWAXQMEW-UHFFFAOYSA-N
MW239.33 g/mol
LogP1.25
Rot. Bonds3

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

[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-yl]methanamine (PubChem CID 107552293) has the molecular formula C8H9N5S2 and a molecular weight of 239.33 g/mol. Its IUPAC name is [2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-yl]methanamine
PubChem CID107552293
Molecular FormulaC8H9N5S2
Molecular Weight239.33 g/mol
Exact Mass239.03
IUPAC Name[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-yl]methanamine
SMILESCc1nnc(Sc2nccc(CN)n2)s1
InChIInChI=1S/C8H9N5S2/c1-5-12-13-8(14-5)15-7-10-3-2-6(4-9)11-7/h2-3H,4,9H2,1H3
InChIKeyRMXQFEHWAXQMEW-UHFFFAOYSA-N
XLogP1.25
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551401
[2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]methanamine
CID 107552301
[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 63881700
(2-methylsulfanylpyrimidin-4-yl)methanamine;dihydrochloride
CID 170918737
N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 80886182
2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole
CID 2227390
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine
CID 91019805
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
2-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazole
CID 4069691
[5-bromo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine
CID 114893834
2-methyl-5-(1,3-thiazol-2-ylsulfanyl)-1,3,4-thiadiazole
CID 18707717

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-yl]methanamine?
The IUPAC name of [2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-yl]methanamine (CID 107552293) is [2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-yl]methanamine is Cc1nnc(Sc2nccc(CN)n2)s1.
What is the InChIKey of [2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-yl]methanamine?
The InChIKey is RMXQFEHWAXQMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S2/c1-5-12-13-8(14-5)15-7-10-3-2-6(4-9)11-7/h2-3H,4,9H2,1H3.
What are the key properties of [2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-yl]methanamine?
[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-yl]methanamine has a molecular weight of 239.33 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 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]pyrimidin-4-yl]methanamine is sourced from PubChem (CID 107552293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).