N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide

C19H20ClN3O3S — CID 91680834

IUPACN-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
SMILESCCOc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc2sc(N)nc12
InChIInChI=1S/C19H20ClN3O3S/c1-4-25-14-9-12(10-15-16(14)23-18(21)27-15)22-17(24)19(2,3)26-13-7-5-11(20)6-8-13/h5-10H,4H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyUBVDILKRNXOVOV-UHFFFAOYSA-N
MW405.91 g/mol
LogP4.73
Rot. Bonds6

About N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide

N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide (PubChem CID 91680834) has the molecular formula C19H20ClN3O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
PubChem CID91680834
Molecular FormulaC19H20ClN3O3S
Molecular Weight405.91 g/mol
Exact Mass405.09
IUPAC NameN-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
SMILESCCOc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc2sc(N)nc12
InChIInChI=1S/C19H20ClN3O3S/c1-4-25-14-9-12(10-15-16(14)23-18(21)27-15)22-17(24)19(2,3)26-13-7-5-11(20)6-8-13/h5-10H,4H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyUBVDILKRNXOVOV-UHFFFAOYSA-N
XLogP4.73
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
CID 91680717
N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-2-(4-bromophenoxy)-2-methylpropanamide
CID 91680763
2-(4-chlorophenoxy)-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 91680974
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
CID 91680976
N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 91680677
2-(4-chlorophenoxy)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylpropanamide
CID 122355884
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-tert-butylphenoxy)acetamide
CID 91680807
N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
CID 91680637
2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
CID 848261
2-(4-chlorophenoxy)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 43980508
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 91680806
2-(4-chlorophenoxy)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 5161471

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide?
The IUPAC name of N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide (CID 91680834) is N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide.
What is the SMILES notation for N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide?
The canonical SMILES for N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide is CCOc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc2sc(N)nc12.
What is the InChIKey of N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide?
The InChIKey is UBVDILKRNXOVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S/c1-4-25-14-9-12(10-15-16(14)23-18(21)27-15)22-17(24)19(2,3)26-13-7-5-11(20)6-8-13/h5-10H,4H2,1-3H3,(H2,21,23)(H,22,24).
What are the key properties of N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide?
N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide has a molecular weight of 405.91 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide is sourced from PubChem (CID 91680834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).