[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine

C10H12N4S2 — CID 63881700

IUPAC[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine
SMILESCc1nnc(SCc2ccnc(CN)c2)s1
InChIInChI=1S/C10H12N4S2/c1-7-13-14-10(16-7)15-6-8-2-3-12-9(4-8)5-11/h2-4H,5-6,11H2,1H3
InChIKeyPQJHHYKKSORVID-UHFFFAOYSA-N
MW252.37 g/mol
LogP1.99
Rot. Bonds4

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

[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine (PubChem CID 63881700) has the molecular formula C10H12N4S2 and a molecular weight of 252.37 g/mol. Its IUPAC name is [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine
PubChem CID63881700
Molecular FormulaC10H12N4S2
Molecular Weight252.37 g/mol
Exact Mass252.05
IUPAC Name[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine
SMILESCc1nnc(SCc2ccnc(CN)c2)s1
InChIInChI=1S/C10H12N4S2/c1-7-13-14-10(16-7)15-6-8-2-3-12-9(4-8)5-11/h2-4H,5-6,11H2,1H3
InChIKeyPQJHHYKKSORVID-UHFFFAOYSA-N
XLogP1.99
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine with MolForge

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Related Compounds

2-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazole
CID 4069691
[5-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 63289523
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyridin-4-amine
CID 79259982
[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-yl]methanamine
CID 107552293
[4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 63882087
2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole
CID 2227390
[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 63882476
[4-(propylsulfanylmethyl)-2-pyridinyl]methanamine
CID 63881301
[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 62465954
5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 79774988
[4-(pyrazin-2-ylsulfanylmethyl)-2-pyridinyl]methanamine
CID 63881313
4-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]aniline
CID 79583319

Frequently Asked Questions

What is the IUPAC name of [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine (CID 63881700) is [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine is Cc1nnc(SCc2ccnc(CN)c2)s1.
What is the InChIKey of [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine?
The InChIKey is PQJHHYKKSORVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S2/c1-7-13-14-10(16-7)15-6-8-2-3-12-9(4-8)5-11/h2-4H,5-6,11H2,1H3.
What are the key properties of [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine?
[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine has a molecular weight of 252.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 63881700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).