3-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)cyclobutan-1-amine

C13H15N3S — CID 116885333

IUPAC3-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)cyclobutan-1-amine
SMILESCc1nc(-c2ccncc2)sc1C1CC(N)C1
InChIInChI=1S/C13H15N3S/c1-8-12(10-6-11(14)7-10)17-13(16-8)9-2-4-15-5-3-9/h2-5,10-11H,6-7,14H2,1H3
InChIKeyOSDXOXJJSXHXEA-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.72
Rot. Bonds2

About 3-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)cyclobutan-1-amine

3-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)cyclobutan-1-amine (PubChem CID 116885333) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 3-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)cyclobutan-1-amine
PubChem CID116885333
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name3-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)cyclobutan-1-amine
SMILESCc1nc(-c2ccncc2)sc1C1CC(N)C1
InChIInChI=1S/C13H15N3S/c1-8-12(10-6-11(14)7-10)17-13(16-8)9-2-4-15-5-3-9/h2-5,10-11H,6-7,14H2,1H3
InChIKeyOSDXOXJJSXHXEA-UHFFFAOYSA-N
XLogP2.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine
CID 116885328
3-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine
CID 116885325
3-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclobutan-1-amine
CID 116965519
5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 116885014
3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine
CID 116888903
4-methyl-2-pyridin-4-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116885170
4-methyl-5-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole
CID 70910859
2-methyl-5-pyridin-4-yl-1,3,4-thiadiazole
CID 23346364
[3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 69132107
(4-cyclopropyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanamine
CID 82436375
(4-methylpiperidin-1-yl)-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 39080812
3-(2-phenyl-1,3-thiazol-4-yl)cyclobutan-1-amine
CID 116888902

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)cyclobutan-1-amine?
The IUPAC name of 3-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)cyclobutan-1-amine (CID 116885333) is 3-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)cyclobutan-1-amine is Cc1nc(-c2ccncc2)sc1C1CC(N)C1.
What is the InChIKey of 3-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)cyclobutan-1-amine?
The InChIKey is OSDXOXJJSXHXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-8-12(10-6-11(14)7-10)17-13(16-8)9-2-4-15-5-3-9/h2-5,10-11H,6-7,14H2,1H3.
What are the key properties of 3-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)cyclobutan-1-amine?
3-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)cyclobutan-1-amine has a molecular weight of 245.35 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)cyclobutan-1-amine is sourced from PubChem (CID 116885333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).