N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-2-methylpropanamide

C23H27Cl2N3O2S — CID 43964497

IUPACN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
SMILESCc1ccc(Cl)c2sc(N(CCCN(C)C)C(=O)C(C)(C)Oc3ccc(Cl)cc3)nc12
InChIInChI=1S/C23H27Cl2N3O2S/c1-15-7-12-18(25)20-19(15)26-22(31-20)28(14-6-13-27(4)5)21(29)23(2,3)30-17-10-8-16(24)9-11-17/h7-12H,6,13-14H2,1-5H3
InChIKeyMOWQZOXLPNNQOM-UHFFFAOYSA-N
MW480.46 g/mol
LogP6.05
Rot. Bonds8

About N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-2-methylpropanamide

N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-2-methylpropanamide (PubChem CID 43964497) has the molecular formula C23H27Cl2N3O2S and a molecular weight of 480.46 g/mol. Its IUPAC name is N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
PubChem CID43964497
Molecular FormulaC23H27Cl2N3O2S
Molecular Weight480.46 g/mol
Exact Mass479.12
IUPAC NameN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
SMILESCc1ccc(Cl)c2sc(N(CCCN(C)C)C(=O)C(C)(C)Oc3ccc(Cl)cc3)nc12
InChIInChI=1S/C23H27Cl2N3O2S/c1-15-7-12-18(25)20-19(15)26-22(31-20)28(14-6-13-27(4)5)21(29)23(2,3)30-17-10-8-16(24)9-11-17/h7-12H,6,13-14H2,1-5H3
InChIKeyMOWQZOXLPNNQOM-UHFFFAOYSA-N
XLogP6.05
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.46
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 43964498
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 41341192
methyl 2-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-[3-(dimethylamino)propyl]carbamoyl]benzoate
CID 43964945
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]quinoxaline-2-carboxamide
CID 43965242
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3,4-dimethylbenzamide
CID 41076624
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(4-nitrophenyl)acetamide
CID 43964861
2,5-dichloro-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
CID 43995034
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)sulfonylacetamide
CID 18586133
4-(4-chlorophenyl)sulfanyl-N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)butanamide;hydrochloride
CID 44937865
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-methyl-3-nitrobenzamide
CID 43964735
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 43962456
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 41076059

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-2-methylpropanamide?
The IUPAC name of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-2-methylpropanamide (CID 43964497) is N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-2-methylpropanamide.
What is the SMILES notation for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-2-methylpropanamide?
The canonical SMILES for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-2-methylpropanamide is Cc1ccc(Cl)c2sc(N(CCCN(C)C)C(=O)C(C)(C)Oc3ccc(Cl)cc3)nc12.
What is the InChIKey of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-2-methylpropanamide?
The InChIKey is MOWQZOXLPNNQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N3O2S/c1-15-7-12-18(25)20-19(15)26-22(31-20)28(14-6-13-27(4)5)21(29)23(2,3)30-17-10-8-16(24)9-11-17/h7-12H,6,13-14H2,1-5H3.
What are the key properties of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-2-methylpropanamide?
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-2-methylpropanamide has a molecular weight of 480.46 g/mol, XLogP of 6.05, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-2-methylpropanamide is sourced from PubChem (CID 43964497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).