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

C6H9NS — CID 23110791

IUPAC(5Z,7Z)-3,4-dihydro-2H-1,3-thiazocine
SMILESC1=C\CNCS\C=C/1
InChIInChI=1S/C6H9NS/c1-2-4-7-6-8-5-3-1/h1-3,5,7H,4,6H2/b2-1-,5-3-
InChIKeyRWPFTIOQTDQCII-NWJCXACMSA-N
MW127.21 g/mol
LogP1.35
Rot. Bonds

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

(5Z,7Z)-3,4-dihydro-2H-1,3-thiazocine (PubChem CID 23110791) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is (5Z,7Z)-3,4-dihydro-2H-1,3-thiazocine.

Molecular Properties

Compound Name(5Z,7Z)-3,4-dihydro-2H-1,3-thiazocine
PubChem CID23110791
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name(5Z,7Z)-3,4-dihydro-2H-1,3-thiazocine
SMILESC1=C\CNCS\C=C/1
InChIInChI=1S/C6H9NS/c1-2-4-7-6-8-5-3-1/h1-3,5,7H,4,6H2/b2-1-,5-3-
InChIKeyRWPFTIOQTDQCII-NWJCXACMSA-N
XLogP1.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(6Z)-3,4,5,8-tetrahydro-2H-1,4-thiazocine
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3,4,5,8-tetrahydro-2H-1,4-thiazocine
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3,4-dihydro-2H-1,3-thiazocine
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CID 70641520
(2E,4Z)-5-ethylsulfanyl-N-methylpenta-2,4-dien-1-amine
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(3Z,5Z,7Z)-2H-thiocin-2-amine
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(2Z)-1-(methylamino)penta-2,4-diene-1-thiol
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(2Z,4Z)-1-(methylamino)hexa-2,4-diene-1-thiol
CID 163798954
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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-3,4-dihydro-2H-1,3-thiazocine?
The IUPAC name of (5Z,7Z)-3,4-dihydro-2H-1,3-thiazocine (CID 23110791) is (5Z,7Z)-3,4-dihydro-2H-1,3-thiazocine.
What is the SMILES notation for (5Z,7Z)-3,4-dihydro-2H-1,3-thiazocine?
The canonical SMILES for (5Z,7Z)-3,4-dihydro-2H-1,3-thiazocine is C1=C\CNCS\C=C/1.
What is the InChIKey of (5Z,7Z)-3,4-dihydro-2H-1,3-thiazocine?
The InChIKey is RWPFTIOQTDQCII-NWJCXACMSA-N. The full InChI is InChI=1S/C6H9NS/c1-2-4-7-6-8-5-3-1/h1-3,5,7H,4,6H2/b2-1-,5-3-.
What are the key properties of (5Z,7Z)-3,4-dihydro-2H-1,3-thiazocine?
(5Z,7Z)-3,4-dihydro-2H-1,3-thiazocine has a molecular weight of 127.21 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-3,4-dihydro-2H-1,3-thiazocine is sourced from PubChem (CID 23110791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).