(3-cyclobutylphenyl)-(thiadiazol-4-yl)methanamine

C13H15N3S — CID 105189528

IUPAC(3-cyclobutylphenyl)-(thiadiazol-4-yl)methanamine
SMILESNC(c1cccc(C2CCC2)c1)c1csnn1
InChIInChI=1S/C13H15N3S/c14-13(12-8-17-16-15-12)11-6-2-5-10(7-11)9-3-1-4-9/h2,5-9,13H,1,3-4,14H2
InChIKeyJUPYUKGJKJGKGG-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.85
Rot. Bonds3

About (3-cyclobutylphenyl)-(thiadiazol-4-yl)methanamine

(3-cyclobutylphenyl)-(thiadiazol-4-yl)methanamine (PubChem CID 105189528) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(thiadiazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(thiadiazol-4-yl)methanamine
PubChem CID105189528
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name(3-cyclobutylphenyl)-(thiadiazol-4-yl)methanamine
SMILESNC(c1cccc(C2CCC2)c1)c1csnn1
InChIInChI=1S/C13H15N3S/c14-13(12-8-17-16-15-12)11-6-2-5-10(7-11)9-3-1-4-9/h2,5-9,13H,1,3-4,14H2
InChIKeyJUPYUKGJKJGKGG-UHFFFAOYSA-N
XLogP2.85
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyclobutylphenyl)-thiophen-3-ylmethanamine
CID 114602570
(3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine
CID 102923950
(3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine
CID 114602823
(3-cyclobutylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 114603326
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
(5-bromofuran-2-yl)-(3-cyclobutylphenyl)methanamine
CID 105053761
(3-cyclobutylphenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 105053621
(3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105053790
(3-chloro-2-pyridinyl)-(3-cyclobutylphenyl)methanamine
CID 103443956
(3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 114602513
(3-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine
CID 114604283
(3-cyclopropylphenyl)-phenylmethanamine;hydrochloride
CID 170919041

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(thiadiazol-4-yl)methanamine?
The IUPAC name of (3-cyclobutylphenyl)-(thiadiazol-4-yl)methanamine (CID 105189528) is (3-cyclobutylphenyl)-(thiadiazol-4-yl)methanamine.
What is the SMILES notation for (3-cyclobutylphenyl)-(thiadiazol-4-yl)methanamine?
The canonical SMILES for (3-cyclobutylphenyl)-(thiadiazol-4-yl)methanamine is NC(c1cccc(C2CCC2)c1)c1csnn1.
What is the InChIKey of (3-cyclobutylphenyl)-(thiadiazol-4-yl)methanamine?
The InChIKey is JUPYUKGJKJGKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c14-13(12-8-17-16-15-12)11-6-2-5-10(7-11)9-3-1-4-9/h2,5-9,13H,1,3-4,14H2.
What are the key properties of (3-cyclobutylphenyl)-(thiadiazol-4-yl)methanamine?
(3-cyclobutylphenyl)-(thiadiazol-4-yl)methanamine has a molecular weight of 245.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-(thiadiazol-4-yl)methanamine is sourced from PubChem (CID 105189528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).