N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-ethylsulfanylbenzamide

C17H15ClN2O2S2 — CID 7590122

IUPACN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-ethylsulfanylbenzamide
SMILESCCSc1ccc(C(=O)Nc2nc3c(OC)ccc(Cl)c3s2)cc1
InChIInChI=1S/C17H15ClN2O2S2/c1-3-23-11-6-4-10(5-7-11)16(21)20-17-19-14-13(22-2)9-8-12(18)15(14)24-17/h4-9H,3H2,1-2H3,(H,19,20,21)
InChIKeyPNFHDDIUNMBKTD-UHFFFAOYSA-N
MW378.91 g/mol
LogP5.32
Rot. Bonds5

About N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-ethylsulfanylbenzamide

N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-ethylsulfanylbenzamide (PubChem CID 7590122) has the molecular formula C17H15ClN2O2S2 and a molecular weight of 378.91 g/mol. Its IUPAC name is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-ethylsulfanylbenzamide
PubChem CID7590122
Molecular FormulaC17H15ClN2O2S2
Molecular Weight378.91 g/mol
Exact Mass378.03
IUPAC NameN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-ethylsulfanylbenzamide
SMILESCCSc1ccc(C(=O)Nc2nc3c(OC)ccc(Cl)c3s2)cc1
InChIInChI=1S/C17H15ClN2O2S2/c1-3-23-11-6-4-10(5-7-11)16(21)20-17-19-14-13(22-2)9-8-12(18)15(14)24-17/h4-9H,3H2,1-2H3,(H,19,20,21)
InChIKeyPNFHDDIUNMBKTD-UHFFFAOYSA-N
XLogP5.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.91
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41073963
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(dimethylamino)benzamide
CID 7590088
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
CID 7590116
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7590117
1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea
CID 121082763
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 7172907
4-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41018256
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192494
ethyl 4-[4-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 43994635
N'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfanylacetohydrazide
CID 41074275
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 7590058
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide
CID 43994698

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-ethylsulfanylbenzamide?
The IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-ethylsulfanylbenzamide (CID 7590122) is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-ethylsulfanylbenzamide.
What is the SMILES notation for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-ethylsulfanylbenzamide?
The canonical SMILES for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-ethylsulfanylbenzamide is CCSc1ccc(C(=O)Nc2nc3c(OC)ccc(Cl)c3s2)cc1.
What is the InChIKey of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-ethylsulfanylbenzamide?
The InChIKey is PNFHDDIUNMBKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S2/c1-3-23-11-6-4-10(5-7-11)16(21)20-17-19-14-13(22-2)9-8-12(18)15(14)24-17/h4-9H,3H2,1-2H3,(H,19,20,21).
What are the key properties of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-ethylsulfanylbenzamide?
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-ethylsulfanylbenzamide has a molecular weight of 378.91 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-ethylsulfanylbenzamide is sourced from PubChem (CID 7590122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).