2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3,1-benzoxazin-4-one

C18H13N3O2S — CID 10427069

IUPAC2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3,1-benzoxazin-4-one
SMILESCc1ccc(-c2csc(Nc3nc4ccccc4c(=O)o3)n2)cc1
InChIInChI=1S/C18H13N3O2S/c1-11-6-8-12(9-7-11)15-10-24-18(20-15)21-17-19-14-5-3-2-4-13(14)16(22)23-17/h2-10H,1H3,(H,19,20,21)
InChIKeyFMPAWVGMNKSNRO-UHFFFAOYSA-N
MW335.39 g/mol
LogP4.36
Rot. Bonds3

About 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3,1-benzoxazin-4-one

2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3,1-benzoxazin-4-one (PubChem CID 10427069) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3,1-benzoxazin-4-one
PubChem CID10427069
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3,1-benzoxazin-4-one
SMILESCc1ccc(-c2csc(Nc3nc4ccccc4c(=O)o3)n2)cc1
InChIInChI=1S/C18H13N3O2S/c1-11-6-8-12(9-7-11)15-10-24-18(20-15)21-17-19-14-5-3-2-4-13(14)16(22)23-17/h2-10H,1H3,(H,19,20,21)
InChIKeyFMPAWVGMNKSNRO-UHFFFAOYSA-N
XLogP4.36
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
N-[[4-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 108776305
2-(methylamino)-3,1-benzoxazin-4-one
CID 10241309
N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840281
6-(2-anilino-1,3-thiazol-4-yl)-2,3-dimethylchromen-4-one
CID 86032331
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide
CID 40672202
2-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]methyl]-3-(4-methylphenyl)quinazolin-4-one
CID 10599987
2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5142369
4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 1075886
6-[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 22333269
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzoxazol-2-amine
CID 108777909
4-[(4-methylphenyl)sulfanylmethyl]-2-[(4-phenyl-1,3-thiazol-2-yl)amino]-1H-pyrimidin-6-one
CID 135894943

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3,1-benzoxazin-4-one?
The IUPAC name of 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3,1-benzoxazin-4-one (CID 10427069) is 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3,1-benzoxazin-4-one?
The canonical SMILES for 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3,1-benzoxazin-4-one is Cc1ccc(-c2csc(Nc3nc4ccccc4c(=O)o3)n2)cc1.
What is the InChIKey of 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3,1-benzoxazin-4-one?
The InChIKey is FMPAWVGMNKSNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c1-11-6-8-12(9-7-11)15-10-24-18(20-15)21-17-19-14-5-3-2-4-13(14)16(22)23-17/h2-10H,1H3,(H,19,20,21).
What are the key properties of 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3,1-benzoxazin-4-one?
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3,1-benzoxazin-4-one has a molecular weight of 335.39 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3,1-benzoxazin-4-one is sourced from PubChem (CID 10427069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).