2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzothiazole

C19H15N3OS — CID 46879641

IUPAC2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzothiazole
SMILESc1ccc2c(c1)CC(c1nc3ccc(-c4cn[nH]c4)cc3s1)CO2
InChIInChI=1S/C19H15N3OS/c1-2-4-17-13(3-1)7-14(11-23-17)19-22-16-6-5-12(8-18(16)24-19)15-9-20-21-10-15/h1-6,8-10,14H,7,11H2,(H,20,21)
InChIKeyMSSYXOZHEIUOHK-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.41
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzothiazole

2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzothiazole (PubChem CID 46879641) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzothiazole
PubChem CID46879641
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzothiazole
SMILESc1ccc2c(c1)CC(c1nc3ccc(-c4cn[nH]c4)cc3s1)CO2
InChIInChI=1S/C19H15N3OS/c1-2-4-17-13(3-1)7-14(11-23-17)19-22-16-6-5-12(8-18(16)24-19)15-9-20-21-10-15/h1-6,8-10,14H,7,11H2,(H,20,21)
InChIKeyMSSYXOZHEIUOHK-UHFFFAOYSA-N
XLogP4.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-(1H-pyrazol-4-yl)benzo[d]thiazol-2-yl)-N-(3-(dimethylamino)propyl)chroman-6-carboxamide
CID 45375859
2-(Chroman-3-yl)-6-(pyridin-4-yl)benzo[d]thiazole
CID 46879639
2-(chroman-3-yl)-6-(3-methyl-1H-pyrazol-4-yl)benzo[d]thiazole
CID 46879642
2-(chroman-3-yl)-5-fluoro-6-(1H-pyrazol-4-yl)benzo[d]thiazole
CID 46879678
2-(chroman-3-yl)-4-fluoro-6-(1H-pyrazol-4-yl)benzo[d]thiazole
CID 46879679
2-(chroman-3-yl)-4-methoxy-6-(1H-pyrazol-4-yl)benzo[d]thiazole
CID 46879680
4-(2-(2-(chroman-3-yl)-6-(1H-pyrazol-4-yl)benzo[d]thiazol-4-yloxy)ethyl)morpholine
CID 46879681
2-(2-(chroman-3-yl)-6-(1H-pyrazol-4-yl)benzo[d]thiazol-4-yloxy)-N,N-dimethylethanamine
CID 46879720
N1-(2-(chroman-3-yl)-6-(1H-pyrazol-4-yl)benzo[d]thiazol-4-yl)-N1,N2,N2-trimethylethane-1,2-diamine
CID 46879721
2-(6-methoxychroman-3-yl)-6-(1H-pyrazol-4-yl)benzo[d]thiazole
CID 46879722
2-(6-methylchroman-3-yl)-6-(1H-pyrazol-4-yl)benzo[d]thiazole
CID 46879723
2-(6-chlorochroman-3-yl)-6-(1H-pyrazol-4-yl)benzo[d]thiazole
CID 46879724

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzothiazole?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzothiazole (CID 46879641) is 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzothiazole is c1ccc2c(c1)CC(c1nc3ccc(-c4cn[nH]c4)cc3s1)CO2.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzothiazole?
The InChIKey is MSSYXOZHEIUOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-2-4-17-13(3-1)7-14(11-23-17)19-22-16-6-5-12(8-18(16)24-19)15-9-20-21-10-15/h1-6,8-10,14H,7,11H2,(H,20,21).
What are the key properties of 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzothiazole?
2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzothiazole has a molecular weight of 333.42 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzothiazole is sourced from PubChem (CID 46879641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).