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

C14H15N5O3S — CID 74233993

IUPACN-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCC(C)(NC(=O)c1ccc2c(c1)OCC(=O)N2)c1nnc(N)s1
InChIInChI=1S/C14H15N5O3S/c1-14(2,12-18-19-13(15)23-12)17-11(21)7-3-4-8-9(5-7)22-6-10(20)16-8/h3-5H,6H2,1-2H3,(H2,15,19)(H,16,20)(H,17,21)
InChIKeyJPGCSHXGTBJUSV-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.12
Rot. Bonds3

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

N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 74233993) has the molecular formula C14H15N5O3S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
PubChem CID74233993
Molecular FormulaC14H15N5O3S
Molecular Weight333.37 g/mol
Exact Mass333.09
IUPAC NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCC(C)(NC(=O)c1ccc2c(c1)OCC(=O)N2)c1nnc(N)s1
InChIInChI=1S/C14H15N5O3S/c1-14(2,12-18-19-13(15)23-12)17-11(21)7-3-4-8-9(5-7)22-6-10(20)16-8/h3-5H,6H2,1-2H3,(H2,15,19)(H,16,20)(H,17,21)
InChIKeyJPGCSHXGTBJUSV-UHFFFAOYSA-N
XLogP1.12
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 126444506
(2R)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 126443134
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 74233745
2-methyl-2-[4-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120696194
3-oxo-N-(1H-pyrazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide
CID 61393673
N-[1-(4-tert-butylphenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 134043362
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-(2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 115612739
N-(1-hydroxybutan-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 43418065
N-[(1-hydroxycyclobutyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 115643325
ethyl 2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate
CID 61343515

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide (CID 74233993) is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide is CC(C)(NC(=O)c1ccc2c(c1)OCC(=O)N2)c1nnc(N)s1.
What is the InChIKey of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is JPGCSHXGTBJUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3S/c1-14(2,12-18-19-13(15)23-12)17-11(21)7-3-4-8-9(5-7)22-6-10(20)16-8/h3-5H,6H2,1-2H3,(H2,15,19)(H,16,20)(H,17,21).
What are the key properties of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 333.37 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 74233993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).