N-(thiatriazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide

C10H9N5O2S — CID 114912509

IUPACN-(thiatriazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
SMILESO=C(Nc1nnns1)c1cccc2c1OCCN2
InChIInChI=1S/C10H9N5O2S/c16-9(12-10-13-14-15-18-10)6-2-1-3-7-8(6)17-5-4-11-7/h1-3,11H,4-5H2,(H,12,13,15,16)
InChIKeyFEFLIYMOSXPUTP-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.99
Rot. Bonds2

About N-(thiatriazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide

N-(thiatriazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide (PubChem CID 114912509) has the molecular formula C10H9N5O2S and a molecular weight of 263.28 g/mol. Its IUPAC name is N-(thiatriazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-(thiatriazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
PubChem CID114912509
Molecular FormulaC10H9N5O2S
Molecular Weight263.28 g/mol
Exact Mass263.05
IUPAC NameN-(thiatriazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
SMILESO=C(Nc1nnns1)c1cccc2c1OCCN2
InChIInChI=1S/C10H9N5O2S/c16-9(12-10-13-14-15-18-10)6-2-1-3-7-8(6)17-5-4-11-7/h1-3,11H,4-5H2,(H,12,13,15,16)
InChIKeyFEFLIYMOSXPUTP-UHFFFAOYSA-N
XLogP0.99
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 54494297
3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide;hydrochloride
CID 139604886
6-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one
CID 7798405
N-(5-((2-((2-ethoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 42448237
3-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4H-1,4-benzoxazine-8-carboxamide
CID 53543457
4-(1,3,4-Thiadiazol-2-ylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid
CID 81847294
3,4-dihydro-2H-1,4-benzoxazin-8-yl(pyrrolidin-1-yl)methanone
CID 81855424
N-(1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 81855623
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 81855734
N-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 81855882
N-[1-(2H-tetrazol-5-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 81855966
N-(2H-tetrazol-5-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 81855984

Frequently Asked Questions

What is the IUPAC name of N-(thiatriazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-(thiatriazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide (CID 114912509) is N-(thiatriazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-(thiatriazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-(thiatriazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide is O=C(Nc1nnns1)c1cccc2c1OCCN2.
What is the InChIKey of N-(thiatriazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
The InChIKey is FEFLIYMOSXPUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2S/c16-9(12-10-13-14-15-18-10)6-2-1-3-7-8(6)17-5-4-11-7/h1-3,11H,4-5H2,(H,12,13,15,16).
What are the key properties of N-(thiatriazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
N-(thiatriazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide has a molecular weight of 263.28 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiatriazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 114912509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).