5-chloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]thiophene-2-carboxamide

C19H22ClN3O3S2 — CID 41348574

IUPAC5-chloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]thiophene-2-carboxamide
SMILESCOc1ccc(OC)c2sc(N(CCCN(C)C)C(=O)c3ccc(Cl)s3)nc12
InChIInChI=1S/C19H22ClN3O3S2/c1-22(2)10-5-11-23(18(24)14-8-9-15(20)27-14)19-21-16-12(25-3)6-7-13(26-4)17(16)28-19/h6-9H,5,10-11H2,1-4H3
InChIKeyJVNHCKJYQRLWJG-UHFFFAOYSA-N
MW439.99 g/mol
LogP4.63
Rot. Bonds8

About 5-chloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]thiophene-2-carboxamide

5-chloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]thiophene-2-carboxamide (PubChem CID 41348574) has the molecular formula C19H22ClN3O3S2 and a molecular weight of 439.99 g/mol. Its IUPAC name is 5-chloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]thiophene-2-carboxamide
PubChem CID41348574
Molecular FormulaC19H22ClN3O3S2
Molecular Weight439.99 g/mol
Exact Mass439.08
IUPAC Name5-chloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]thiophene-2-carboxamide
SMILESCOc1ccc(OC)c2sc(N(CCCN(C)C)C(=O)c3ccc(Cl)s3)nc12
InChIInChI=1S/C19H22ClN3O3S2/c1-22(2)10-5-11-23(18(24)14-8-9-15(20)27-14)19-21-16-12(25-3)6-7-13(26-4)17(16)28-19/h6-9H,5,10-11H2,1-4H3
InChIKeyJVNHCKJYQRLWJG-UHFFFAOYSA-N
XLogP4.63
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.99
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-[3-(dimethylamino)propyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride
CID 44931273
5-chloro-N-[2-(dimethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride
CID 16808486
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-methoxybenzamide
CID 41348542
5-chloro-N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride
CID 18563786
2,4-dichloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
CID 41348550
5-bromo-2-chloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
CID 43964705
4-bromo-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
CID 41348532
2-(2-chlorophenyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 43965171
5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 43958923
5-chloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-methoxybenzamide
CID 43961174
5-chloro-N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride
CID 16808791
2,5-dichloro-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
CID 43995034

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]thiophene-2-carboxamide (CID 41348574) is 5-chloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]thiophene-2-carboxamide is COc1ccc(OC)c2sc(N(CCCN(C)C)C(=O)c3ccc(Cl)s3)nc12.
What is the InChIKey of 5-chloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]thiophene-2-carboxamide?
The InChIKey is JVNHCKJYQRLWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S2/c1-22(2)10-5-11-23(18(24)14-8-9-15(20)27-14)19-21-16-12(25-3)6-7-13(26-4)17(16)28-19/h6-9H,5,10-11H2,1-4H3.
What are the key properties of 5-chloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]thiophene-2-carboxamide?
5-chloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]thiophene-2-carboxamide has a molecular weight of 439.99 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 41348574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).