6-oxo-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide

C16H11N5O4S — CID 146021862

IUPAC6-oxo-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide
SMILESO=C1COc2ccc(-c3csc(NC(=O)c4ccc(=O)[nH]n4)n3)cc2N1
InChIInChI=1S/C16H11N5O4S/c22-13-4-2-9(20-21-13)15(24)19-16-18-11(7-26-16)8-1-3-12-10(5-8)17-14(23)6-25-12/h1-5,7H,6H2,(H,17,23)(H,21,22)(H,18,19,24)
InChIKeyWZBOKQZWPOFCMX-UHFFFAOYSA-N
MW369.36 g/mol
LogP1.48
Rot. Bonds3

About 6-oxo-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide

6-oxo-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide (PubChem CID 146021862) has the molecular formula C16H11N5O4S and a molecular weight of 369.36 g/mol. Its IUPAC name is 6-oxo-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide
PubChem CID146021862
Molecular FormulaC16H11N5O4S
Molecular Weight369.36 g/mol
Exact Mass369.05
IUPAC Name6-oxo-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide
SMILESO=C1COc2ccc(-c3csc(NC(=O)c4ccc(=O)[nH]n4)n3)cc2N1
InChIInChI=1S/C16H11N5O4S/c22-13-4-2-9(20-21-13)15(24)19-16-18-11(7-26-16)8-1-3-12-10(5-8)17-14(23)6-25-12/h1-5,7H,6H2,(H,17,23)(H,21,22)(H,18,19,24)
InChIKeyWZBOKQZWPOFCMX-UHFFFAOYSA-N
XLogP1.48
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-oxo-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide with MolForge

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Related Compounds

5-cyclopropyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyrazole-3-carboxamide
CID 146021897
N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]isoquinoline-1-carboxamide
CID 146021832
5-(furan-2-yl)-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 146021877
4-methyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 146021815
(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-chloro-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 116968112
2-(2,4-difluorophenyl)-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]acetamide
CID 146021834
6-oxo-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 146021859
N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide
CID 146021487
3-cyclohexyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 20995330

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide (CID 146021862) is 6-oxo-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide is O=C1COc2ccc(-c3csc(NC(=O)c4ccc(=O)[nH]n4)n3)cc2N1.
What is the InChIKey of 6-oxo-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide?
The InChIKey is WZBOKQZWPOFCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O4S/c22-13-4-2-9(20-21-13)15(24)19-16-18-11(7-26-16)8-1-3-12-10(5-8)17-14(23)6-25-12/h1-5,7H,6H2,(H,17,23)(H,21,22)(H,18,19,24).
What are the key properties of 6-oxo-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide has a molecular weight of 369.36 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 146021862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).