(3-methylphenyl)-(thiadiazol-5-yl)methanamine

C10H11N3S — CID 105090729

IUPAC(3-methylphenyl)-(thiadiazol-5-yl)methanamine
SMILESCc1cccc(C(N)c2cnns2)c1
InChIInChI=1S/C10H11N3S/c1-7-3-2-4-8(5-7)10(11)9-6-12-13-14-9/h2-6,10H,11H2,1H3
InChIKeyAUHKPMDTARZPBU-UHFFFAOYSA-N
MW205.29 g/mol
LogP1.89
Rot. Bonds2

About (3-methylphenyl)-(thiadiazol-5-yl)methanamine

(3-methylphenyl)-(thiadiazol-5-yl)methanamine (PubChem CID 105090729) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is (3-methylphenyl)-(thiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-methylphenyl)-(thiadiazol-5-yl)methanamine
PubChem CID105090729
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name(3-methylphenyl)-(thiadiazol-5-yl)methanamine
SMILESCc1cccc(C(N)c2cnns2)c1
InChIInChI=1S/C10H11N3S/c1-7-3-2-4-8(5-7)10(11)9-6-12-13-14-9/h2-6,10H,11H2,1H3
InChIKeyAUHKPMDTARZPBU-UHFFFAOYSA-N
XLogP1.89
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171229492
2-(3-methylphenyl)-1-(thiadiazol-5-yl)ethanamine
CID 105091271
(6-methyl-3-pyridinyl)-(thiadiazol-5-yl)methanamine
CID 105146287
(3-methylphenyl)-pyridazin-4-ylmethanamine
CID 105090632
(5-bromothiophen-2-yl)-(3-methylphenyl)methanamine
CID 61102439
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
(4-ethylthiadiazol-5-yl)-(3-methylphenyl)methanamine
CID 105090458
(3-methylphenyl)-(6-methyl-3-pyridinyl)methanamine
CID 63156097
(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methanamine
CID 106883927
(3-methylphenyl)-thiophen-3-ylmethanamine
CID 60819503
(3-methylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105090551
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171249716

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(thiadiazol-5-yl)methanamine?
The IUPAC name of (3-methylphenyl)-(thiadiazol-5-yl)methanamine (CID 105090729) is (3-methylphenyl)-(thiadiazol-5-yl)methanamine.
What is the SMILES notation for (3-methylphenyl)-(thiadiazol-5-yl)methanamine?
The canonical SMILES for (3-methylphenyl)-(thiadiazol-5-yl)methanamine is Cc1cccc(C(N)c2cnns2)c1.
What is the InChIKey of (3-methylphenyl)-(thiadiazol-5-yl)methanamine?
The InChIKey is AUHKPMDTARZPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-7-3-2-4-8(5-7)10(11)9-6-12-13-14-9/h2-6,10H,11H2,1H3.
What are the key properties of (3-methylphenyl)-(thiadiazol-5-yl)methanamine?
(3-methylphenyl)-(thiadiazol-5-yl)methanamine has a molecular weight of 205.29 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-(thiadiazol-5-yl)methanamine is sourced from PubChem (CID 105090729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).