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

C12H13N3S — CID 116965519

IUPAC3-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclobutan-1-amine
SMILESNC1CC(c2nc(-c3ccncc3)cs2)C1
InChIInChI=1S/C12H13N3S/c13-10-5-9(6-10)12-15-11(7-16-12)8-1-3-14-4-2-8/h1-4,7,9-10H,5-6,13H2
InChIKeyRTJNDPGJNXNVBP-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.41
Rot. Bonds2

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

3-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclobutan-1-amine (PubChem CID 116965519) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 3-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclobutan-1-amine
PubChem CID116965519
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name3-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclobutan-1-amine
SMILESNC1CC(c2nc(-c3ccncc3)cs2)C1
InChIInChI=1S/C12H13N3S/c13-10-5-9(6-10)12-15-11(7-16-12)8-1-3-14-4-2-8/h1-4,7,9-10H,5-6,13H2
InChIKeyRTJNDPGJNXNVBP-UHFFFAOYSA-N
XLogP2.41
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutan-1-amine
CID 116965488
cis-(1S,3R)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine;trans-(1S,3S)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 160876170
3-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 116965515
3-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 116965509
4-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]aniline
CID 115998354
hydron;4-phenyl-2-piperidin-4-yl-1,3-thiazole;chloride
CID 71677758
3-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)cyclobutan-1-amine
CID 116885333
6-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 133392654
2-(3-chlorocyclobutyl)-4-(4-methylsulfonylphenyl)-1,3-thiazole
CID 166305504
4-(4-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydron;chloride
CID 71677757
4-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]benzonitrile
CID 65404104
4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride
CID 50988268

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclobutan-1-amine (CID 116965519) is 3-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclobutan-1-amine is NC1CC(c2nc(-c3ccncc3)cs2)C1.
What is the InChIKey of 3-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclobutan-1-amine?
The InChIKey is RTJNDPGJNXNVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c13-10-5-9(6-10)12-15-11(7-16-12)8-1-3-14-4-2-8/h1-4,7,9-10H,5-6,13H2.
What are the key properties of 3-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclobutan-1-amine?
3-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclobutan-1-amine has a molecular weight of 231.32 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 116965519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).