4-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine

C10H12N4OS — CID 104749835

IUPAC4-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1nc(C2CCOC2)cs1
InChIInChI=1S/C10H12N4OS/c11-9-7(3-12-14-9)10-13-8(5-16-10)6-1-2-15-4-6/h3,5-6H,1-2,4H2,(H3,11,12,14)
InChIKeyGQAVXNJQMHDRCC-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.62
Rot. Bonds2

About 4-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine

4-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine (PubChem CID 104749835) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
PubChem CID104749835
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name4-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1nc(C2CCOC2)cs1
InChIInChI=1S/C10H12N4OS/c11-9-7(3-12-14-9)10-13-8(5-16-10)6-1-2-15-4-6/h3,5-6H,1-2,4H2,(H3,11,12,14)
InChIKeyGQAVXNJQMHDRCC-UHFFFAOYSA-N
XLogP1.62
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrazole_amino_B(1)', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-(oxolan-3-yl)-1,3-thiazole
CID 104756423
3-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]aniline
CID 113448703
[4-(oxolan-3-yl)-1,3-thiazol-2-yl]hydrazine
CID 104752360
4-[3-bromo-4-(oxolan-3-yl)phenyl]-1H-pyrazol-5-amine
CID 117493096
2-(7-bromonaphthalen-2-yl)-4-(oxolan-3-yl)-1,3-thiazole
CID 90202215
4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 104749815
N-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 104693355
1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanamine
CID 104749797
3-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]morpholine;hydrochloride
CID 120581948
1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine
CID 104749809
2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]acetic acid
CID 104749846
N-tert-butyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 104744208

Frequently Asked Questions

What is the IUPAC name of 4-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine (CID 104749835) is 4-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1nc(C2CCOC2)cs1.
What is the InChIKey of 4-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine?
The InChIKey is GQAVXNJQMHDRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c11-9-7(3-12-14-9)10-13-8(5-16-10)6-1-2-15-4-6/h3,5-6H,1-2,4H2,(H3,11,12,14).
What are the key properties of 4-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine?
4-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine has a molecular weight of 236.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine is sourced from PubChem (CID 104749835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).