N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide

C18H15N5O3S — CID 126444506

IUPACN-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESNc1nnc([C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)c2ccccc2)s1
InChIInChI=1S/C18H15N5O3S/c19-18-23-22-17(27-18)15(10-4-2-1-3-5-10)21-16(25)11-6-7-12-13(8-11)26-9-14(24)20-12/h1-8,15H,9H2,(H2,19,23)(H,20,24)(H,21,25)/t15-/m1/s1
InChIKeyQHUNJSIYHCREAR-OAHLLOKOSA-N
MW381.42 g/mol
LogP1.97
Rot. Bonds4

About N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide

N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 126444506) has the molecular formula C18H15N5O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
PubChem CID126444506
Molecular FormulaC18H15N5O3S
Molecular Weight381.42 g/mol
Exact Mass381.09
IUPAC NameN-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESNc1nnc([C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)c2ccccc2)s1
InChIInChI=1S/C18H15N5O3S/c19-18-23-22-17(27-18)15(10-4-2-1-3-5-10)21-16(25)11-6-7-12-13(8-11)26-9-14(24)20-12/h1-8,15H,9H2,(H2,19,23)(H,20,24)(H,21,25)/t15-/m1/s1
InChIKeyQHUNJSIYHCREAR-OAHLLOKOSA-N
XLogP1.97
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide with MolForge

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Related Compounds

N-[(4-chlorophenyl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 55372147
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 74233993
3-oxo-N-[phenyl(pyridin-2-yl)methyl]-4H-1,4-benzoxazine-6-carboxamide
CID 134021250
N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-pyrazol-1-ylbenzamide
CID 95140346
3-oxo-N-[(1S)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide
CID 59802754
N-benzhydryl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784603
(3R)-3-(4-fluorophenyl)-3-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoic acid
CID 125147633
N-(1-hydroxypropan-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 43418628
7-benzoyl-4H-1,4-benzoxazin-3-one
CID 3087778
N-(1-hydroxybutan-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 43418065
ethyl 2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate
CID 61343515
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70753415

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide (CID 126444506) is N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide is Nc1nnc([C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)c2ccccc2)s1.
What is the InChIKey of N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is QHUNJSIYHCREAR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H15N5O3S/c19-18-23-22-17(27-18)15(10-4-2-1-3-5-10)21-16(25)11-6-7-12-13(8-11)26-9-14(24)20-12/h1-8,15H,9H2,(H2,19,23)(H,20,24)(H,21,25)/t15-/m1/s1.
What are the key properties of N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 381.42 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 126444506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).