N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide

C19H14N6O3S — CID 4802425

IUPACN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C19H14N6O3S/c26-18(12-1-4-14(5-2-12)25-11-20-23-24-25)22-19-21-15(10-29-19)13-3-6-16-17(9-13)28-8-7-27-16/h1-6,9-11H,7-8H2,(H,21,22,26)
InChIKeyBIFMFVSDLREBAX-UHFFFAOYSA-N
MW406.43 g/mol
LogP2.81
Rot. Bonds4

About N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide

N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide (PubChem CID 4802425) has the molecular formula C19H14N6O3S and a molecular weight of 406.43 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
PubChem CID4802425
Molecular FormulaC19H14N6O3S
Molecular Weight406.43 g/mol
Exact Mass406.08
IUPAC NameN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C19H14N6O3S/c26-18(12-1-4-14(5-2-12)25-11-20-23-24-25)22-19-21-15(10-29-19)13-3-6-16-17(9-13)28-8-7-27-16/h1-6,9-11H,7-8H2,(H,21,22,26)
InChIKeyBIFMFVSDLREBAX-UHFFFAOYSA-N
XLogP2.81
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-(diethylamino)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 4245052
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-pyrrol-1-ylbenzamide
CID 24569753
N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4577932
3-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 5162316
4-(tetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 51149957
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide
CID 17455400
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3,5-dimethoxy-4-methylbenzamide
CID 2127477
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 55699318
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 55334288
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
CID 7266948
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84560633
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 5079800

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide (CID 4802425) is N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide is O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is BIFMFVSDLREBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O3S/c26-18(12-1-4-14(5-2-12)25-11-20-23-24-25)22-19-21-15(10-29-19)13-3-6-16-17(9-13)28-8-7-27-16/h1-6,9-11H,7-8H2,(H,21,22,26).
What are the key properties of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide?
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 406.43 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 4802425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).