N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(2-chlorophenoxy)acetamide

C19H23ClN2O2S — CID 29203576

IUPACN-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(2-chlorophenoxy)acetamide
SMILESCC(C)(C)[C@@H]1CCc2nc(NC(=O)COc3ccccc3Cl)sc2C1
InChIInChI=1S/C19H23ClN2O2S/c1-19(2,3)12-8-9-14-16(10-12)25-18(21-14)22-17(23)11-24-15-7-5-4-6-13(15)20/h4-7,12H,8-11H2,1-3H3,(H,21,22,23)/t12-/m1/s1
InChIKeyBFTSKTMUKBXEIG-GFCCVEGCSA-N
MW378.93 g/mol
LogP4.97
Rot. Bonds4

About N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(2-chlorophenoxy)acetamide

N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(2-chlorophenoxy)acetamide (PubChem CID 29203576) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(2-chlorophenoxy)acetamide
PubChem CID29203576
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC NameN-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(2-chlorophenoxy)acetamide
SMILESCC(C)(C)[C@@H]1CCc2nc(NC(=O)COc3ccccc3Cl)sc2C1
InChIInChI=1S/C19H23ClN2O2S/c1-19(2,3)12-8-9-14-16(10-12)25-18(21-14)22-17(23)11-24-15-7-5-4-6-13(15)20/h4-7,12H,8-11H2,1-3H3,(H,21,22,23)/t12-/m1/s1
InChIKeyBFTSKTMUKBXEIG-GFCCVEGCSA-N
XLogP4.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(2-chlorophenoxy)acetamide with MolForge

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Related Compounds

N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2-chlorophenoxy)acetamide
CID 17011175
2-(4-bromophenoxy)-N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 42280047
2-(2,4-dichlorophenoxy)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 4861044
2-(2,4-dichlorophenoxy)-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 40744884
N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-chlorobenzamide
CID 40773721
2-(4-fluorophenoxy)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 17010819
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-chlorophenoxy)acetamide
CID 19178556
2-(2-chlorophenoxy)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 17100966
tert-butyl N-[2-[2-[(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylethyl]carbamate
CID 84561067
methyl 2-[[2-(2-bromophenoxy)acetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 5000136
2-(cyclopropylmethoxy)-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 71884311
4-(3-chloro-2-pyridinyl)-N-[6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 142681609

Frequently Asked Questions

What is the IUPAC name of N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(2-chlorophenoxy)acetamide?
The IUPAC name of N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(2-chlorophenoxy)acetamide (CID 29203576) is N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(2-chlorophenoxy)acetamide.
What is the SMILES notation for N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(2-chlorophenoxy)acetamide?
The canonical SMILES for N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(2-chlorophenoxy)acetamide is CC(C)(C)[C@@H]1CCc2nc(NC(=O)COc3ccccc3Cl)sc2C1.
What is the InChIKey of N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(2-chlorophenoxy)acetamide?
The InChIKey is BFTSKTMUKBXEIG-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c1-19(2,3)12-8-9-14-16(10-12)25-18(21-14)22-17(23)11-24-15-7-5-4-6-13(15)20/h4-7,12H,8-11H2,1-3H3,(H,21,22,23)/t12-/m1/s1.
What are the key properties of N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(2-chlorophenoxy)acetamide?
N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(2-chlorophenoxy)acetamide has a molecular weight of 378.93 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(2-chlorophenoxy)acetamide is sourced from PubChem (CID 29203576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).