2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C12H15N3OS3 — CID 3240725

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CSC1=NCCS1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C12H15N3OS3/c16-10(7-18-12-13-5-6-17-12)15-11-14-8-3-1-2-4-9(8)19-11/h1-7H2,(H,14,15,16)
InChIKeyHDKYENRYTVXCNE-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.80
Rot. Bonds3

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 3240725) has the molecular formula C12H15N3OS3 and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID3240725
Molecular FormulaC12H15N3OS3
Molecular Weight313.47 g/mol
Exact Mass313.04
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CSC1=NCCS1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C12H15N3OS3/c16-10(7-18-12-13-5-6-17-12)15-11-14-8-3-1-2-4-9(8)19-11/h1-7H2,(H,14,15,16)
InChIKeyHDKYENRYTVXCNE-UHFFFAOYSA-N
XLogP2.80
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 3240725) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is O=C(CSC1=NCCS1)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is HDKYENRYTVXCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS3/c16-10(7-18-12-13-5-6-17-12)15-11-14-8-3-1-2-4-9(8)19-11/h1-7H2,(H,14,15,16).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 313.47 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 3240725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).