5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole

C12H13N3S — CID 116885014

IUPAC5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1C1CNC1
InChIInChI=1S/C12H13N3S/c1-8-11(10-6-14-7-10)16-12(15-8)9-3-2-4-13-5-9/h2-5,10,14H,6-7H2,1H3
InChIKeyWTKAWVOHYCGBBQ-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.20
Rot. Bonds2

About 5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole

5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole (PubChem CID 116885014) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole
PubChem CID116885014
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1C1CNC1
InChIInChI=1S/C12H13N3S/c1-8-11(10-6-14-7-10)16-12(15-8)9-3-2-4-13-5-9/h2-5,10,14H,6-7H2,1H3
InChIKeyWTKAWVOHYCGBBQ-UHFFFAOYSA-N
XLogP2.20
TPSA37.81 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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 59580850
4-methyl-2-pyridin-3-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116885169
4-methyl-5-(1H-pyrazol-5-yl)-2-pyridin-3-yl-1,3-thiazole
CID 58416122
N-methyl-1-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclopropyl]methanamine
CID 116886932
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62404435
N-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine
CID 61287607
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 127050732
3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline
CID 116885240
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
CID 82289672
3-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)cyclobutan-1-amine
CID 116885333
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile
CID 116886959
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 23467885

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole (CID 116885014) is 5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole is Cc1nc(-c2cccnc2)sc1C1CNC1.
What is the InChIKey of 5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is WTKAWVOHYCGBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-8-11(10-6-14-7-10)16-12(15-8)9-3-2-4-13-5-9/h2-5,10,14H,6-7H2,1H3.
What are the key properties of 5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole?
5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 231.32 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 116885014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).