2-[2-(1H-indazol-6-yl)-1,3-benzothiazol-5-yl]-1,3-benzoxazole

C21H12N4OS — CID 130381043

IUPAC2-[2-(1H-indazol-6-yl)-1,3-benzothiazol-5-yl]-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccc4sc(-c5ccc6cn[nH]c6c5)nc4c3)nc2c1
InChIInChI=1S/C21H12N4OS/c1-2-4-18-15(3-1)23-20(26-18)12-7-8-19-17(9-12)24-21(27-19)13-5-6-14-11-22-25-16(14)10-13/h1-11H,(H,22,25)
InChIKeyQAVXIHMSYRCORV-UHFFFAOYSA-N
MW368.42 g/mol
LogP5.65
Rot. Bonds2

About 2-[2-(1H-indazol-6-yl)-1,3-benzothiazol-5-yl]-1,3-benzoxazole

2-[2-(1H-indazol-6-yl)-1,3-benzothiazol-5-yl]-1,3-benzoxazole (PubChem CID 130381043) has the molecular formula C21H12N4OS and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-[2-(1H-indazol-6-yl)-1,3-benzothiazol-5-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-(1H-indazol-6-yl)-1,3-benzothiazol-5-yl]-1,3-benzoxazole
PubChem CID130381043
Molecular FormulaC21H12N4OS
Molecular Weight368.42 g/mol
Exact Mass368.07
IUPAC Name2-[2-(1H-indazol-6-yl)-1,3-benzothiazol-5-yl]-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccc4sc(-c5ccc6cn[nH]c6c5)nc4c3)nc2c1
InChIInChI=1S/C21H12N4OS/c1-2-4-18-15(3-1)23-20(26-18)12-7-8-19-17(9-12)24-21(27-19)13-5-6-14-11-22-25-16(14)10-13/h1-11H,(H,22,25)
InChIKeyQAVXIHMSYRCORV-UHFFFAOYSA-N
XLogP5.65
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.42
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-(benzo[d]oxazol-2-yl)phenyl)-5-(benzo[d]thiazol-2-yl)thiophene-2-carboxamide
CID 16815504
N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2-thiophen-3-ylacetamide
CID 10135614
N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]thiophene-3-carboxamide
CID 10179106
N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]thiophene-3-carboxamide
CID 10200155
N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2-thiophen-3-ylacetamide
CID 10201866
N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2-(thiophene-2-carbonyl)cyclohexane-1-carboxamide
CID 10206985
(2-Benzooxazol-2-yl-thieno[3,2-b]pyridin-7-yl)-(2-methyl-1H-indol-5-yl)-amine
CID 18382880
cis-(1R,2S)-N-[3-[4-(4-methyl-7-propan-2-yl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2-(thiophene-2-carbonyl)cyclohexane-1-carboxamide
CID 21050966
cis-(1R,2S)-N-[3-[4-(5-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2-(thiophene-2-carbonyl)cyclohexane-1-carboxamide
CID 21050967
cis-(1R,2S)-N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2-(thiophene-2-carbonyl)cyclohexane-1-carboxamide
CID 21050968
cis-(1R,2S)-N-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2-(thiophene-2-carbonyl)cyclohexane-1-carboxamide
CID 21050969
N-[3-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]thiophene-3-carboxamide
CID 21956537

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indazol-6-yl)-1,3-benzothiazol-5-yl]-1,3-benzoxazole?
The IUPAC name of 2-[2-(1H-indazol-6-yl)-1,3-benzothiazol-5-yl]-1,3-benzoxazole (CID 130381043) is 2-[2-(1H-indazol-6-yl)-1,3-benzothiazol-5-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[2-(1H-indazol-6-yl)-1,3-benzothiazol-5-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[2-(1H-indazol-6-yl)-1,3-benzothiazol-5-yl]-1,3-benzoxazole is c1ccc2oc(-c3ccc4sc(-c5ccc6cn[nH]c6c5)nc4c3)nc2c1.
What is the InChIKey of 2-[2-(1H-indazol-6-yl)-1,3-benzothiazol-5-yl]-1,3-benzoxazole?
The InChIKey is QAVXIHMSYRCORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N4OS/c1-2-4-18-15(3-1)23-20(26-18)12-7-8-19-17(9-12)24-21(27-19)13-5-6-14-11-22-25-16(14)10-13/h1-11H,(H,22,25).
What are the key properties of 2-[2-(1H-indazol-6-yl)-1,3-benzothiazol-5-yl]-1,3-benzoxazole?
2-[2-(1H-indazol-6-yl)-1,3-benzothiazol-5-yl]-1,3-benzoxazole has a molecular weight of 368.42 g/mol, XLogP of 5.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indazol-6-yl)-1,3-benzothiazol-5-yl]-1,3-benzoxazole is sourced from PubChem (CID 130381043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).