7-(difluoromethoxy)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-amine

C10H8F2N6OS — CID 126835176

IUPAC7-(difluoromethoxy)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-amine
SMILESFC(F)Oc1cccc2nc(NCc3nn[nH]n3)sc12
InChIInChI=1S/C10H8F2N6OS/c11-9(12)19-6-3-1-2-5-8(6)20-10(14-5)13-4-7-15-17-18-16-7/h1-3,9H,4H2,(H,13,14)(H,15,16,17,18)
InChIKeyAUERUUCHYIOISE-UHFFFAOYSA-N
MW298.28 g/mol
LogP2.02
Rot. Bonds5

About 7-(difluoromethoxy)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-amine

7-(difluoromethoxy)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 126835176) has the molecular formula C10H8F2N6OS and a molecular weight of 298.28 g/mol. Its IUPAC name is 7-(difluoromethoxy)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-(difluoromethoxy)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-amine
PubChem CID126835176
Molecular FormulaC10H8F2N6OS
Molecular Weight298.28 g/mol
Exact Mass298.04
IUPAC Name7-(difluoromethoxy)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-amine
SMILESFC(F)Oc1cccc2nc(NCc3nn[nH]n3)sc12
InChIInChI=1S/C10H8F2N6OS/c11-9(12)19-6-3-1-2-5-8(6)20-10(14-5)13-4-7-15-17-18-16-7/h1-3,9H,4H2,(H,13,14)(H,15,16,17,18)
InChIKeyAUERUUCHYIOISE-UHFFFAOYSA-N
XLogP2.02
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(difluoromethoxy)phenyl]-2H-tetrazole
CID 7017704
N-[[2-(difluoromethoxy)phenyl]methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 103933926
6-chloro-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine
CID 106194524
4-ethyl-N-(2H-tetrazol-5-ylmethyl)-1,3-thiazol-2-amine
CID 62962458
1,5-bis(difluoromethoxy)naphthalene
CID 166641341
N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine
CID 79098958
2-(2H-tetrazol-5-ylmethylamino)-1,3-thiazole-5-carboxylic acid
CID 80571029
4-(difluoromethoxy)-2-(difluoromethyl)-1,3-benzothiazole
CID 118817486
N-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 133370013
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
4-(difluoromethoxy)-2-(trifluoromethoxy)-1,3-benzothiazole
CID 118807347
(E)-3-[2-(difluoromethoxy)phenyl]-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 75533554

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethoxy)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 7-(difluoromethoxy)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-amine (CID 126835176) is 7-(difluoromethoxy)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-(difluoromethoxy)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-(difluoromethoxy)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-amine is FC(F)Oc1cccc2nc(NCc3nn[nH]n3)sc12.
What is the InChIKey of 7-(difluoromethoxy)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is AUERUUCHYIOISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N6OS/c11-9(12)19-6-3-1-2-5-8(6)20-10(14-5)13-4-7-15-17-18-16-7/h1-3,9H,4H2,(H,13,14)(H,15,16,17,18).
What are the key properties of 7-(difluoromethoxy)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-amine?
7-(difluoromethoxy)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-amine has a molecular weight of 298.28 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethoxy)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 126835176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).