2-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one

C10H11N3OS — CID 82879507

IUPAC2-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILESO=c1c2c([nH]n1-c1nccs1)CCCC2
InChIInChI=1S/C10H11N3OS/c14-9-7-3-1-2-4-8(7)12-13(9)10-11-5-6-15-10/h5-6,12H,1-4H2
InChIKeyNFBVNZPYFGWZPF-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.50
Rot. Bonds1

About 2-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one

2-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one (PubChem CID 82879507) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one
PubChem CID82879507
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name2-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILESO=c1c2c([nH]n1-c1nccs1)CCCC2
InChIInChI=1S/C10H11N3OS/c14-9-7-3-1-2-4-8(7)12-13(9)10-11-5-6-15-10/h5-6,12H,1-4H2
InChIKeyNFBVNZPYFGWZPF-UHFFFAOYSA-N
XLogP1.50
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)phenyl]azanium
CID 137013025
1-(1,3-thiazol-2-yl)pyrazolidin-3-one
CID 13081778
5-tert-butyl-2-(1,3-thiazol-2-yl)-1H-pyrazol-3-one
CID 82879988
2-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-one
CID 82880731
6-(1,3-thiazol-2-yl)benzo[d][2]benzazepine-5,7-dione
CID 3561841
5-propyl-2-(1,3-thiazol-2-yl)-1H-pyrazol-3-one
CID 82879641
5-ethyl-2-(1,3-thiazol-2-yl)-1H-pyrazole-3-thione
CID 82881200
N-[4-(1,3-thiazol-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110628950
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
4,10-bis(1,3-thiazol-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 2837510
1-methyl-3-(1,3-thiazol-2-yl)imidazolidin-2-one
CID 69187267
2-propan-2-yl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-one
CID 66021492

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one?
The IUPAC name of 2-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one (CID 82879507) is 2-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one is O=c1c2c([nH]n1-c1nccs1)CCCC2.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one?
The InChIKey is NFBVNZPYFGWZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c14-9-7-3-1-2-4-8(7)12-13(9)10-11-5-6-15-10/h5-6,12H,1-4H2.
What are the key properties of 2-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one?
2-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one has a molecular weight of 221.28 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one is sourced from PubChem (CID 82879507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).