2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide

C19H15N3O4S — CID 16914985

IUPAC2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)Nc2ccc3c(c2)OCCO3)cs1)c1ccccc1
InChIInChI=1S/C19H15N3O4S/c23-17(12-4-2-1-3-5-12)22-19-21-14(11-27-19)18(24)20-13-6-7-15-16(10-13)26-9-8-25-15/h1-7,10-11H,8-9H2,(H,20,24)(H,21,22,23)
InChIKeyCUKRMFSBPMHCQD-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.42
Rot. Bonds4

About 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide

2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide (PubChem CID 16914985) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide
PubChem CID16914985
Molecular FormulaC19H15N3O4S
Molecular Weight381.41 g/mol
Exact Mass381.08
IUPAC Name2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)Nc2ccc3c(c2)OCCO3)cs1)c1ccccc1
InChIInChI=1S/C19H15N3O4S/c23-17(12-4-2-1-3-5-12)22-19-21-14(11-27-19)18(24)20-13-6-7-15-16(10-13)26-9-8-25-15/h1-7,10-11H,8-9H2,(H,20,24)(H,21,22,23)
InChIKeyCUKRMFSBPMHCQD-UHFFFAOYSA-N
XLogP3.42
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16914974
2-benzamido-N-(4-bromo-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16914994
2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16914969
2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696589
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109109
2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915094
N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4577932
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160
N-(1,3-benzodioxol-5-yl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506218
2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915105
2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915123
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696238

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide (CID 16914985) is 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1nc(C(=O)Nc2ccc3c(c2)OCCO3)cs1)c1ccccc1.
What is the InChIKey of 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is CUKRMFSBPMHCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S/c23-17(12-4-2-1-3-5-12)22-19-21-14(11-27-19)18(24)20-13-6-7-15-16(10-13)26-9-8-25-15/h1-7,10-11H,8-9H2,(H,20,24)(H,21,22,23).
What are the key properties of 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide?
2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16914985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).