ethane;6-[2-(1H-indazol-5-ylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

C20H19N5O2S — CID 143370576

IUPACethane;6-[2-(1H-indazol-5-ylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
SMILESCC.O=C1COc2ccc(-c3csc(Nc4ccc5[nH]ncc5c4)n3)cc2N1
InChIInChI=1S/C18H13N5O2S.C2H6/c24-17-8-25-16-4-1-10(6-14(16)21-17)15-9-26-18(22-15)20-12-2-3-13-11(5-12)7-19-23-13;1-2/h1-7,9H,8H2,(H,19,23)(H,20,22)(H,21,24);1-2H3
InChIKeyOICJMAOIANYEOJ-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.79
Rot. Bonds3

About ethane;6-[2-(1H-indazol-5-ylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

ethane;6-[2-(1H-indazol-5-ylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one (PubChem CID 143370576) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is ethane;6-[2-(1H-indazol-5-ylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Nameethane;6-[2-(1H-indazol-5-ylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
PubChem CID143370576
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Nameethane;6-[2-(1H-indazol-5-ylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
SMILESCC.O=C1COc2ccc(-c3csc(Nc4ccc5[nH]ncc5c4)n3)cc2N1
InChIInChI=1S/C18H13N5O2S.C2H6/c24-17-8-25-16-4-1-10(6-14(16)21-17)15-9-26-18(22-15)20-12-2-3-13-11(5-12)7-19-23-13;1-2/h1-7,9H,8H2,(H,19,23)(H,20,22)(H,21,24);1-2H3
InChIKeyOICJMAOIANYEOJ-UHFFFAOYSA-N
XLogP4.79
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethane;6-[2-(1H-indazol-5-ylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

N-(1H-indazol-5-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-amine
CID 143370408
6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 7529091
6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 2061961
6-(2-chloro-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 116968112
(2S)-2-methyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide
CID 1431353
(2R)-2-methyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide
CID 1431352
3-methyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide
CID 20995327
6-[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 22333269
6-oxo-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide
CID 146021862
4-methyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 146021815
6-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 2468356
6-[2-(hydroxymethyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 116867442

Frequently Asked Questions

What is the IUPAC name of ethane;6-[2-(1H-indazol-5-ylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of ethane;6-[2-(1H-indazol-5-ylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one (CID 143370576) is ethane;6-[2-(1H-indazol-5-ylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for ethane;6-[2-(1H-indazol-5-ylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for ethane;6-[2-(1H-indazol-5-ylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one is CC.O=C1COc2ccc(-c3csc(Nc4ccc5[nH]ncc5c4)n3)cc2N1.
What is the InChIKey of ethane;6-[2-(1H-indazol-5-ylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one?
The InChIKey is OICJMAOIANYEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2S.C2H6/c24-17-8-25-16-4-1-10(6-14(16)21-17)15-9-26-18(22-15)20-12-2-3-13-11(5-12)7-19-23-13;1-2/h1-7,9H,8H2,(H,19,23)(H,20,22)(H,21,24);1-2H3.
What are the key properties of ethane;6-[2-(1H-indazol-5-ylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one?
ethane;6-[2-(1H-indazol-5-ylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one has a molecular weight of 393.47 g/mol, XLogP of 4.79, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-[2-(1H-indazol-5-ylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 143370576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).