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

C17H16ClN3O2S — CID 7590088

IUPACN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(dimethylamino)benzamide
SMILESCOc1ccc(Cl)c2sc(NC(=O)c3ccc(N(C)C)cc3)nc12
InChIInChI=1S/C17H16ClN3O2S/c1-21(2)11-6-4-10(5-7-11)16(22)20-17-19-14-13(23-3)9-8-12(18)15(14)24-17/h4-9H,1-3H3,(H,19,20,22)
InChIKeyKMYWBDRZKLCCHQ-UHFFFAOYSA-N
MW361.85 g/mol
LogP4.28
Rot. Bonds4

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

N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(dimethylamino)benzamide (PubChem CID 7590088) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(dimethylamino)benzamide
PubChem CID7590088
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC NameN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(dimethylamino)benzamide
SMILESCOc1ccc(Cl)c2sc(NC(=O)c3ccc(N(C)C)cc3)nc12
InChIInChI=1S/C17H16ClN3O2S/c1-21(2)11-6-4-10(5-7-11)16(22)20-17-19-14-13(23-3)9-8-12(18)15(14)24-17/h4-9H,1-3H3,(H,19,20,22)
InChIKeyKMYWBDRZKLCCHQ-UHFFFAOYSA-N
XLogP4.28
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(dimethylamino)benzamide?
The IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(dimethylamino)benzamide (CID 7590088) is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(dimethylamino)benzamide.
What is the SMILES notation for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(dimethylamino)benzamide?
The canonical SMILES for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(dimethylamino)benzamide is COc1ccc(Cl)c2sc(NC(=O)c3ccc(N(C)C)cc3)nc12.
What is the InChIKey of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(dimethylamino)benzamide?
The InChIKey is KMYWBDRZKLCCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-21(2)11-6-4-10(5-7-11)16(22)20-17-19-14-13(23-3)9-8-12(18)15(14)24-17/h4-9H,1-3H3,(H,19,20,22).
What are the key properties of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(dimethylamino)benzamide?
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(dimethylamino)benzamide has a molecular weight of 361.85 g/mol, XLogP of 4.28, 4 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-(dimethylamino)benzamide is sourced from PubChem (CID 7590088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).