N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

C17H18FN3OS2 — CID 7208625

IUPACN-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCN(C)CCCN(C(=O)c1cccs1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C17H18FN3OS2/c1-20(2)8-4-9-21(16(22)14-5-3-10-23-14)17-19-13-7-6-12(18)11-15(13)24-17/h3,5-7,10-11H,4,8-9H2,1-2H3
InChIKeyCVZKWPXEQNKXQL-UHFFFAOYSA-N
MW363.48 g/mol
LogP4.10
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 7208625) has the molecular formula C17H18FN3OS2 and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID7208625
Molecular FormulaC17H18FN3OS2
Molecular Weight363.48 g/mol
Exact Mass363.09
IUPAC NameN-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCN(C)CCCN(C(=O)c1cccs1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C17H18FN3OS2/c1-20(2)8-4-9-21(16(22)14-5-3-10-23-14)17-19-13-7-6-12(18)11-15(13)24-17/h3,5-7,10-11H,4,8-9H2,1-2H3
InChIKeyCVZKWPXEQNKXQL-UHFFFAOYSA-N
XLogP4.10
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 7208625) is N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is CN(C)CCCN(C(=O)c1cccs1)c1nc2ccc(F)cc2s1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is CVZKWPXEQNKXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3OS2/c1-20(2)8-4-9-21(16(22)14-5-3-10-23-14)17-19-13-7-6-12(18)11-15(13)24-17/h3,5-7,10-11H,4,8-9H2,1-2H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 7208625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).