methyl 2-[(3-propan-2-yloxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate

C19H18N2O4S — CID 17128823

IUPACmethyl 2-[(3-propan-2-yloxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
SMILESCOC(=O)c1ccc2nc(NC(=O)c3cccc(OC(C)C)c3)sc2c1
InChIInChI=1S/C19H18N2O4S/c1-11(2)25-14-6-4-5-12(9-14)17(22)21-19-20-15-8-7-13(18(23)24-3)10-16(15)26-19/h4-11H,1-3H3,(H,20,21,22)
InChIKeyZUBRMFKMRCSHCJ-UHFFFAOYSA-N
MW370.43 g/mol
LogP4.12
Rot. Bonds5

About methyl 2-[(3-propan-2-yloxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate

methyl 2-[(3-propan-2-yloxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate (PubChem CID 17128823) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is methyl 2-[(3-propan-2-yloxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-propan-2-yloxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
PubChem CID17128823
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Namemethyl 2-[(3-propan-2-yloxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
SMILESCOC(=O)c1ccc2nc(NC(=O)c3cccc(OC(C)C)c3)sc2c1
InChIInChI=1S/C19H18N2O4S/c1-11(2)25-14-6-4-5-12(9-14)17(22)21-19-20-15-8-7-13(18(23)24-3)10-16(15)26-19/h4-11H,1-3H3,(H,20,21,22)
InChIKeyZUBRMFKMRCSHCJ-UHFFFAOYSA-N
XLogP4.12
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(naphthalene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 4229260
methyl 2-[(4-propan-2-ylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17128804
methyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 4250162
methyl 2-[(4-iodobenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17128807
methyl 2-(2-methylpropanoylamino)-1,3-benzothiazole-6-carboxylate
CID 4118650
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide
CID 40604029
methyl 2-[(3-chloro-4-methylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17128805
3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235422
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-propan-2-yloxybenzamide
CID 6457482
N-(1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 833754
dimethyl 5-[(3-propan-2-yloxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 1339052
methyl 2-[(3-bromobenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate
CID 17128924

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-propan-2-yloxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate?
The IUPAC name of methyl 2-[(3-propan-2-yloxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate (CID 17128823) is methyl 2-[(3-propan-2-yloxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate.
What is the SMILES notation for methyl 2-[(3-propan-2-yloxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate?
The canonical SMILES for methyl 2-[(3-propan-2-yloxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate is COC(=O)c1ccc2nc(NC(=O)c3cccc(OC(C)C)c3)sc2c1.
What is the InChIKey of methyl 2-[(3-propan-2-yloxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate?
The InChIKey is ZUBRMFKMRCSHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-11(2)25-14-6-4-5-12(9-14)17(22)21-19-20-15-8-7-13(18(23)24-3)10-16(15)26-19/h4-11H,1-3H3,(H,20,21,22).
What are the key properties of methyl 2-[(3-propan-2-yloxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate?
methyl 2-[(3-propan-2-yloxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate has a molecular weight of 370.43 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-propan-2-yloxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate is sourced from PubChem (CID 17128823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).