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

C13H18N4S — CID 56781213

IUPAC2-propyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole
SMILESCCCc1nc(CN2CC(n3cccn3)C2)cs1
InChIInChI=1S/C13H18N4S/c1-2-4-13-15-11(10-18-13)7-16-8-12(9-16)17-6-3-5-14-17/h3,5-6,10,12H,2,4,7-9H2,1H3
InChIKeyGUHFLKPMIVTRCT-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.35
Rot. Bonds5

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

2-propyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole (PubChem CID 56781213) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-propyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-propyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole
PubChem CID56781213
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name2-propyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole
SMILESCCCc1nc(CN2CC(n3cccn3)C2)cs1
InChIInChI=1S/C13H18N4S/c1-2-4-13-15-11(10-18-13)7-16-8-12(9-16)17-6-3-5-14-17/h3,5-6,10,12H,2,4,7-9H2,1H3
InChIKeyGUHFLKPMIVTRCT-UHFFFAOYSA-N
XLogP2.35
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-propyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole (CID 56781213) is 2-propyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-propyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-propyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole is CCCc1nc(CN2CC(n3cccn3)C2)cs1.
What is the InChIKey of 2-propyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is GUHFLKPMIVTRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-2-4-13-15-11(10-18-13)7-16-8-12(9-16)17-6-3-5-14-17/h3,5-6,10,12H,2,4,7-9H2,1H3.
What are the key properties of 2-propyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole?
2-propyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 262.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 56781213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).