N-[3-(7-chloro-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide

C16H14ClN3OS2 — CID 71007419

IUPACN-[3-(7-chloro-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1sc2c(c1-c1nc3cccc(Cl)c3s1)CCNC2
InChIInChI=1S/C16H14ClN3OS2/c1-8(21)19-15-13(9-5-6-18-7-12(9)22-15)16-20-11-4-2-3-10(17)14(11)23-16/h2-4,18H,5-7H2,1H3,(H,19,21)
InChIKeyKRHJXWAQFPQROF-UHFFFAOYSA-N
MW363.90 g/mol
LogP4.28
Rot. Bonds2

About N-[3-(7-chloro-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide

N-[3-(7-chloro-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide (PubChem CID 71007419) has the molecular formula C16H14ClN3OS2 and a molecular weight of 363.90 g/mol. Its IUPAC name is N-[3-(7-chloro-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(7-chloro-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide
PubChem CID71007419
Molecular FormulaC16H14ClN3OS2
Molecular Weight363.90 g/mol
Exact Mass363.03
IUPAC NameN-[3-(7-chloro-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1sc2c(c1-c1nc3cccc(Cl)c3s1)CCNC2
InChIInChI=1S/C16H14ClN3OS2/c1-8(21)19-15-13(9-5-6-18-7-12(9)22-15)16-20-11-4-2-3-10(17)14(11)23-16/h2-4,18H,5-7H2,1H3,(H,19,21)
InChIKeyKRHJXWAQFPQROF-UHFFFAOYSA-N
XLogP4.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.90
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(7-chloro-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide?
The IUPAC name of N-[3-(7-chloro-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide (CID 71007419) is N-[3-(7-chloro-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[3-(7-chloro-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide?
The canonical SMILES for N-[3-(7-chloro-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide is CC(=O)Nc1sc2c(c1-c1nc3cccc(Cl)c3s1)CCNC2.
What is the InChIKey of N-[3-(7-chloro-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide?
The InChIKey is KRHJXWAQFPQROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS2/c1-8(21)19-15-13(9-5-6-18-7-12(9)22-15)16-20-11-4-2-3-10(17)14(11)23-16/h2-4,18H,5-7H2,1H3,(H,19,21).
What are the key properties of N-[3-(7-chloro-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide?
N-[3-(7-chloro-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide has a molecular weight of 363.90 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7-chloro-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide is sourced from PubChem (CID 71007419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).