7-chloro-N-[2-(dimethylamino)ethyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide

C16H17ClN2OS2 — CID 6623618

IUPAC7-chloro-N-[2-(dimethylamino)ethyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2
InChIInChI=1S/C16H17ClN2OS2/c1-19(2)6-5-18-16(20)14-7-10-9-21-13-8-11(17)3-4-12(13)15(10)22-14/h3-4,7-8H,5-6,9H2,1-2H3,(H,18,20)
InChIKeyITESNYBWKVFAEV-UHFFFAOYSA-N
MW352.91 g/mol
LogP3.97
Rot. Bonds4

About 7-chloro-N-[2-(dimethylamino)ethyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide

7-chloro-N-[2-(dimethylamino)ethyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 6623618) has the molecular formula C16H17ClN2OS2 and a molecular weight of 352.91 g/mol. Its IUPAC name is 7-chloro-N-[2-(dimethylamino)ethyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[2-(dimethylamino)ethyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID6623618
Molecular FormulaC16H17ClN2OS2
Molecular Weight352.91 g/mol
Exact Mass352.05
IUPAC Name7-chloro-N-[2-(dimethylamino)ethyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2
InChIInChI=1S/C16H17ClN2OS2/c1-19(2)6-5-18-16(20)14-7-10-9-21-13-8-11(17)3-4-12(13)15(10)22-14/h3-4,7-8H,5-6,9H2,1-2H3,(H,18,20)
InChIKeyITESNYBWKVFAEV-UHFFFAOYSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-(dimethylamino)ethyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of 7-chloro-N-[2-(dimethylamino)ethyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 6623618) is 7-chloro-N-[2-(dimethylamino)ethyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[2-(dimethylamino)ethyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for 7-chloro-N-[2-(dimethylamino)ethyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide is CN(C)CCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2.
What is the InChIKey of 7-chloro-N-[2-(dimethylamino)ethyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is ITESNYBWKVFAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS2/c1-19(2)6-5-18-16(20)14-7-10-9-21-13-8-11(17)3-4-12(13)15(10)22-14/h3-4,7-8H,5-6,9H2,1-2H3,(H,18,20).
What are the key properties of 7-chloro-N-[2-(dimethylamino)ethyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide?
7-chloro-N-[2-(dimethylamino)ethyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 352.91 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(dimethylamino)ethyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 6623618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).