N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)acetamide

C11H12N2OS2 — CID 3997003

IUPACN-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2sc3c(c2s1)CCCC3
InChIInChI=1S/C11H12N2OS2/c1-6(14)12-11-13-10-9(16-11)7-4-2-3-5-8(7)15-10/h2-5H2,1H3,(H,12,13,14)
InChIKeyDIWYRUDMNWDTND-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.19
Rot. Bonds1

About N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)acetamide

N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)acetamide (PubChem CID 3997003) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)acetamide
PubChem CID3997003
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC NameN-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2sc3c(c2s1)CCCC3
InChIInChI=1S/C11H12N2OS2/c1-6(14)12-11-13-10-9(16-11)7-4-2-3-5-8(7)15-10/h2-5H2,1H3,(H,12,13,14)
InChIKeyDIWYRUDMNWDTND-UHFFFAOYSA-N
XLogP3.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)carbamate
CID 548126
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
3,5-diacetamido-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide
CID 60572213
N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 902348
N-[(6R)-6-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 132510072
3-acetamido-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 535100
4-(acetamidomethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 167896966
2-acetamido-N-pyridin-3-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 23988053
potassium 3-(5-acetamido-2-pyridinyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thiolate
CID 44789199
(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 4-acetamidobenzoate
CID 7534751
N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)acetamide
CID 144882024
N-[(7S)-7-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 166874093

Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)acetamide?
The IUPAC name of N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)acetamide (CID 3997003) is N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)acetamide.
What is the SMILES notation for N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)acetamide?
The canonical SMILES for N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)acetamide is CC(=O)Nc1nc2sc3c(c2s1)CCCC3.
What is the InChIKey of N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)acetamide?
The InChIKey is DIWYRUDMNWDTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-6(14)12-11-13-10-9(16-11)7-4-2-3-5-8(7)15-10/h2-5H2,1H3,(H,12,13,14).
What are the key properties of N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)acetamide?
N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)acetamide has a molecular weight of 252.36 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazol-2-yl)acetamide is sourced from PubChem (CID 3997003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).