(5Z,7Z)-9-ethyl-6-propan-2-yl-4,9-dihydro-1,3-thiazonine

C12H19NS — CID 139435535

IUPAC(5Z,7Z)-9-ethyl-6-propan-2-yl-4,9-dihydro-1,3-thiazonine
SMILESCCC1/C=C\C(C(C)C)=C/C/N=C\S1
InChIInChI=1S/C12H19NS/c1-4-12-6-5-11(10(2)3)7-8-13-9-14-12/h5-7,9-10,12H,4,8H2,1-3H3/b6-5-,11-7+,13-9-
InChIKeyBNOJNTRFKDVXAB-QFDGDHPTSA-N
MW209.36 g/mol
LogP3.68
Rot. Bonds2

About (5Z,7Z)-9-ethyl-6-propan-2-yl-4,9-dihydro-1,3-thiazonine

(5Z,7Z)-9-ethyl-6-propan-2-yl-4,9-dihydro-1,3-thiazonine (PubChem CID 139435535) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is (5Z,7Z)-9-ethyl-6-propan-2-yl-4,9-dihydro-1,3-thiazonine.

Molecular Properties

Compound Name(5Z,7Z)-9-ethyl-6-propan-2-yl-4,9-dihydro-1,3-thiazonine
PubChem CID139435535
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name(5Z,7Z)-9-ethyl-6-propan-2-yl-4,9-dihydro-1,3-thiazonine
SMILESCCC1/C=C\C(C(C)C)=C/C/N=C\S1
InChIInChI=1S/C12H19NS/c1-4-12-6-5-11(10(2)3)7-8-13-9-14-12/h5-7,9-10,12H,4,8H2,1-3H3/b6-5-,11-7+,13-9-
InChIKeyBNOJNTRFKDVXAB-QFDGDHPTSA-N
XLogP3.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-9-ethyl-6-propan-2-yl-4,9-dihydro-1,3-thiazonine?
The IUPAC name of (5Z,7Z)-9-ethyl-6-propan-2-yl-4,9-dihydro-1,3-thiazonine (CID 139435535) is (5Z,7Z)-9-ethyl-6-propan-2-yl-4,9-dihydro-1,3-thiazonine.
What is the SMILES notation for (5Z,7Z)-9-ethyl-6-propan-2-yl-4,9-dihydro-1,3-thiazonine?
The canonical SMILES for (5Z,7Z)-9-ethyl-6-propan-2-yl-4,9-dihydro-1,3-thiazonine is CCC1/C=C\C(C(C)C)=C/C/N=C\S1.
What is the InChIKey of (5Z,7Z)-9-ethyl-6-propan-2-yl-4,9-dihydro-1,3-thiazonine?
The InChIKey is BNOJNTRFKDVXAB-QFDGDHPTSA-N. The full InChI is InChI=1S/C12H19NS/c1-4-12-6-5-11(10(2)3)7-8-13-9-14-12/h5-7,9-10,12H,4,8H2,1-3H3/b6-5-,11-7+,13-9-.
What are the key properties of (5Z,7Z)-9-ethyl-6-propan-2-yl-4,9-dihydro-1,3-thiazonine?
(5Z,7Z)-9-ethyl-6-propan-2-yl-4,9-dihydro-1,3-thiazonine has a molecular weight of 209.36 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-9-ethyl-6-propan-2-yl-4,9-dihydro-1,3-thiazonine is sourced from PubChem (CID 139435535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).