[4-amino-3-[2-(dimethylamino)ethylsulfanyl]thieno[2,3-c][1,2]thiazol-5-yl]-(4-chlorophenyl)methanone

C16H16ClN3OS3 — CID 14145061

IUPAC[4-amino-3-[2-(dimethylamino)ethylsulfanyl]thieno[2,3-c][1,2]thiazol-5-yl]-(4-chlorophenyl)methanone
SMILESCN(C)CCSc1snc2sc(C(=O)c3ccc(Cl)cc3)c(N)c12
InChIInChI=1S/C16H16ClN3OS3/c1-20(2)7-8-22-16-11-12(18)14(23-15(11)19-24-16)13(21)9-3-5-10(17)6-4-9/h3-6H,7-8,18H2,1-2H3
InChIKeyYCOTWVRDWNDABT-UHFFFAOYSA-N
MW397.98 g/mol
LogP4.48
Rot. Bonds6

About [4-amino-3-[2-(dimethylamino)ethylsulfanyl]thieno[2,3-c][1,2]thiazol-5-yl]-(4-chlorophenyl)methanone

[4-amino-3-[2-(dimethylamino)ethylsulfanyl]thieno[2,3-c][1,2]thiazol-5-yl]-(4-chlorophenyl)methanone (PubChem CID 14145061) has the molecular formula C16H16ClN3OS3 and a molecular weight of 397.98 g/mol. Its IUPAC name is [4-amino-3-[2-(dimethylamino)ethylsulfanyl]thieno[2,3-c][1,2]thiazol-5-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-amino-3-[2-(dimethylamino)ethylsulfanyl]thieno[2,3-c][1,2]thiazol-5-yl]-(4-chlorophenyl)methanone
PubChem CID14145061
Molecular FormulaC16H16ClN3OS3
Molecular Weight397.98 g/mol
Exact Mass397.01
IUPAC Name[4-amino-3-[2-(dimethylamino)ethylsulfanyl]thieno[2,3-c][1,2]thiazol-5-yl]-(4-chlorophenyl)methanone
SMILESCN(C)CCSc1snc2sc(C(=O)c3ccc(Cl)cc3)c(N)c12
InChIInChI=1S/C16H16ClN3OS3/c1-20(2)7-8-22-16-11-12(18)14(23-15(11)19-24-16)13(21)9-3-5-10(17)6-4-9/h3-6H,7-8,18H2,1-2H3
InChIKeyYCOTWVRDWNDABT-UHFFFAOYSA-N
XLogP4.48
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.98
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-amino-3-[2-(dimethylamino)ethylsulfanyl]thieno[2,3-c][1,2]thiazol-5-yl]-(4-chlorophenyl)methanone with MolForge

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Related Compounds

(4-amino-3-methylsulfanylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone
CID 12695355
[4-amino-3-(2-pyrrolidin-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-phenylmethanone
CID 2816888
1-[4-amino-3-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]ethanone
CID 6932398
(5-aminothieno[2,3-d]pyrimidin-6-yl)-(4-chlorophenyl)methanone
CID 165351345
ethyl 3-amino-2-(4-chlorobenzoyl)-4-[4-(dimethylamino)phenyl]-6-methylthieno[2,3-b]pyridine-5-carboxylate
CID 11443302
2-[3-amino-2-(4-chlorobenzoyl)-4,6-dimethylthieno[2,3-b]pyridin-5-yl]-1-(4-bromophenyl)ethanone
CID 23856806
1-[3-amino-4-(4-chlorophenyl)-6-methyl-2-(4-methylbenzoyl)thieno[2,3-b]pyridin-5-yl]ethanone
CID 9499494
[3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone
CID 144756244
3-amino-2-(4-chlorobenzoyl)-4,6-dimethyl-N-phenylthieno[2,3-b]pyridine-5-carboxamide
CID 1007127
4-amino-5-benzoyl-2-propylsulfanylthiophene-3-carbonitrile
CID 54293871
[4-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
CID 3492281
(3-amino-6-pyridin-1-ium-3-ylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone
CID 4751820

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-[2-(dimethylamino)ethylsulfanyl]thieno[2,3-c][1,2]thiazol-5-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [4-amino-3-[2-(dimethylamino)ethylsulfanyl]thieno[2,3-c][1,2]thiazol-5-yl]-(4-chlorophenyl)methanone (CID 14145061) is [4-amino-3-[2-(dimethylamino)ethylsulfanyl]thieno[2,3-c][1,2]thiazol-5-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [4-amino-3-[2-(dimethylamino)ethylsulfanyl]thieno[2,3-c][1,2]thiazol-5-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [4-amino-3-[2-(dimethylamino)ethylsulfanyl]thieno[2,3-c][1,2]thiazol-5-yl]-(4-chlorophenyl)methanone is CN(C)CCSc1snc2sc(C(=O)c3ccc(Cl)cc3)c(N)c12.
What is the InChIKey of [4-amino-3-[2-(dimethylamino)ethylsulfanyl]thieno[2,3-c][1,2]thiazol-5-yl]-(4-chlorophenyl)methanone?
The InChIKey is YCOTWVRDWNDABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3OS3/c1-20(2)7-8-22-16-11-12(18)14(23-15(11)19-24-16)13(21)9-3-5-10(17)6-4-9/h3-6H,7-8,18H2,1-2H3.
What are the key properties of [4-amino-3-[2-(dimethylamino)ethylsulfanyl]thieno[2,3-c][1,2]thiazol-5-yl]-(4-chlorophenyl)methanone?
[4-amino-3-[2-(dimethylamino)ethylsulfanyl]thieno[2,3-c][1,2]thiazol-5-yl]-(4-chlorophenyl)methanone has a molecular weight of 397.98 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-[2-(dimethylamino)ethylsulfanyl]thieno[2,3-c][1,2]thiazol-5-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 14145061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).