2-cyclopropyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole

C13H16N4S — CID 126900196

IUPAC2-cyclopropyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole
SMILESc1cnn(C2CN(Cc3csc(C4CC4)n3)C2)c1
InChIInChI=1S/C13H16N4S/c1-4-14-17(5-1)12-7-16(8-12)6-11-9-18-13(15-11)10-2-3-10/h1,4-5,9-10,12H,2-3,6-8H2
InChIKeyPZQZOBIHGYQGHJ-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.27
Rot. Bonds4

About 2-cyclopropyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole

2-cyclopropyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole (PubChem CID 126900196) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopropyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole
PubChem CID126900196
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name2-cyclopropyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole
SMILESc1cnn(C2CN(Cc3csc(C4CC4)n3)C2)c1
InChIInChI=1S/C13H16N4S/c1-4-14-17(5-1)12-7-16(8-12)6-11-9-18-13(15-11)10-2-3-10/h1,4-5,9-10,12H,2-3,6-8H2
InChIKeyPZQZOBIHGYQGHJ-UHFFFAOYSA-N
XLogP2.27
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-cyclopropyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole (CID 126900196) is 2-cyclopropyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-cyclopropyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-cyclopropyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole is c1cnn(C2CN(Cc3csc(C4CC4)n3)C2)c1.
What is the InChIKey of 2-cyclopropyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is PZQZOBIHGYQGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-4-14-17(5-1)12-7-16(8-12)6-11-9-18-13(15-11)10-2-3-10/h1,4-5,9-10,12H,2-3,6-8H2.
What are the key properties of 2-cyclopropyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole?
2-cyclopropyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 260.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 126900196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).