3-[3-(1H-pyrazol-5-yl)propyl]-1,2-thiazole

C9H11N3S — CID 173179069

IUPAC3-[3-(1H-pyrazol-5-yl)propyl]-1,2-thiazole
SMILESc1cc(CCCc2ccsn2)[nH]n1
InChIInChI=1S/C9H11N3S/c1(2-8-4-6-10-11-8)3-9-5-7-13-12-9/h4-7H,1-3H2,(H,10,11)
InChIKeyGTTFXVVZYPXHSF-UHFFFAOYSA-N
MW193.28 g/mol
LogP2.04
Rot. Bonds4

About 3-[3-(1H-pyrazol-5-yl)propyl]-1,2-thiazole

3-[3-(1H-pyrazol-5-yl)propyl]-1,2-thiazole (PubChem CID 173179069) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 3-[3-(1H-pyrazol-5-yl)propyl]-1,2-thiazole.

Molecular Properties

Compound Name3-[3-(1H-pyrazol-5-yl)propyl]-1,2-thiazole
PubChem CID173179069
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name3-[3-(1H-pyrazol-5-yl)propyl]-1,2-thiazole
SMILESc1cc(CCCc2ccsn2)[nH]n1
InChIInChI=1S/C9H11N3S/c1(2-8-4-6-10-11-8)3-9-5-7-13-12-9/h4-7H,1-3H2,(H,10,11)
InChIKeyGTTFXVVZYPXHSF-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-pyrazol-5-yl)propyl]-1,2-thiazole?
The IUPAC name of 3-[3-(1H-pyrazol-5-yl)propyl]-1,2-thiazole (CID 173179069) is 3-[3-(1H-pyrazol-5-yl)propyl]-1,2-thiazole.
What is the SMILES notation for 3-[3-(1H-pyrazol-5-yl)propyl]-1,2-thiazole?
The canonical SMILES for 3-[3-(1H-pyrazol-5-yl)propyl]-1,2-thiazole is c1cc(CCCc2ccsn2)[nH]n1.
What is the InChIKey of 3-[3-(1H-pyrazol-5-yl)propyl]-1,2-thiazole?
The InChIKey is GTTFXVVZYPXHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1(2-8-4-6-10-11-8)3-9-5-7-13-12-9/h4-7H,1-3H2,(H,10,11).
What are the key properties of 3-[3-(1H-pyrazol-5-yl)propyl]-1,2-thiazole?
3-[3-(1H-pyrazol-5-yl)propyl]-1,2-thiazole has a molecular weight of 193.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-pyrazol-5-yl)propyl]-1,2-thiazole is sourced from PubChem (CID 173179069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).