(4Z)-2,5-dimethyl-7,8-dihydro-6H-1,3-thiazocine

C8H13NS — CID 142913826

IUPAC(4Z)-2,5-dimethyl-7,8-dihydro-6H-1,3-thiazocine
SMILESC/C1=C/N=C(/C)SCCC1
InChIInChI=1S/C8H13NS/c1-7-4-3-5-10-8(2)9-6-7/h6H,3-5H2,1-2H3/b7-6-,9-8-
InChIKeyVHIAYHHYBXXMDQ-JPDBVBESSA-N
MW155.27 g/mol
LogP2.84
Rot. Bonds

About (4Z)-2,5-dimethyl-7,8-dihydro-6H-1,3-thiazocine

(4Z)-2,5-dimethyl-7,8-dihydro-6H-1,3-thiazocine (PubChem CID 142913826) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is (4Z)-2,5-dimethyl-7,8-dihydro-6H-1,3-thiazocine.

Molecular Properties

Compound Name(4Z)-2,5-dimethyl-7,8-dihydro-6H-1,3-thiazocine
PubChem CID142913826
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name(4Z)-2,5-dimethyl-7,8-dihydro-6H-1,3-thiazocine
SMILESC/C1=C/N=C(/C)SCCC1
InChIInChI=1S/C8H13NS/c1-7-4-3-5-10-8(2)9-6-7/h6H,3-5H2,1-2H3/b7-6-,9-8-
InChIKeyVHIAYHHYBXXMDQ-JPDBVBESSA-N
XLogP2.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-diethyl-6H-1,3-thiazine
CID 123431282
methyl N-(2-ethylbut-1-enyl)propanimidothioate
CID 130256859
ethyl N-[(1Z)-2-ethylbuta-1,3-dienyl]propanimidothioate
CID 163880216

Frequently Asked Questions

What is the IUPAC name of (4Z)-2,5-dimethyl-7,8-dihydro-6H-1,3-thiazocine?
The IUPAC name of (4Z)-2,5-dimethyl-7,8-dihydro-6H-1,3-thiazocine (CID 142913826) is (4Z)-2,5-dimethyl-7,8-dihydro-6H-1,3-thiazocine.
What is the SMILES notation for (4Z)-2,5-dimethyl-7,8-dihydro-6H-1,3-thiazocine?
The canonical SMILES for (4Z)-2,5-dimethyl-7,8-dihydro-6H-1,3-thiazocine is C/C1=C/N=C(/C)SCCC1.
What is the InChIKey of (4Z)-2,5-dimethyl-7,8-dihydro-6H-1,3-thiazocine?
The InChIKey is VHIAYHHYBXXMDQ-JPDBVBESSA-N. The full InChI is InChI=1S/C8H13NS/c1-7-4-3-5-10-8(2)9-6-7/h6H,3-5H2,1-2H3/b7-6-,9-8-.
What are the key properties of (4Z)-2,5-dimethyl-7,8-dihydro-6H-1,3-thiazocine?
(4Z)-2,5-dimethyl-7,8-dihydro-6H-1,3-thiazocine has a molecular weight of 155.27 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2,5-dimethyl-7,8-dihydro-6H-1,3-thiazocine is sourced from PubChem (CID 142913826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).