[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-ylidene]cyanamide

C9H9ClN4S2 — CID 15925117

IUPAC[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-ylidene]cyanamide
SMILESN#C/N=C1\SCCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C9H9ClN4S2/c10-8-12-4-7(16-8)5-14-2-1-3-15-9(14)13-6-11/h4H,1-3,5H2/b13-9-
InChIKeyJGLSGWGSWQOYDD-LCYFTJDESA-N
MW272.79 g/mol
LogP2.57
Rot. Bonds2

About [3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-ylidene]cyanamide

[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-ylidene]cyanamide (PubChem CID 15925117) has the molecular formula C9H9ClN4S2 and a molecular weight of 272.79 g/mol. Its IUPAC name is [3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-ylidene]cyanamide.

Molecular Properties

Compound Name[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-ylidene]cyanamide
PubChem CID15925117
Molecular FormulaC9H9ClN4S2
Molecular Weight272.79 g/mol
Exact Mass272.00
IUPAC Name[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-ylidene]cyanamide
SMILESN#C/N=C1\SCCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C9H9ClN4S2/c10-8-12-4-7(16-8)5-14-2-1-3-15-9(14)13-6-11/h4H,1-3,5H2/b13-9-
InChIKeyJGLSGWGSWQOYDD-LCYFTJDESA-N
XLogP2.57
TPSA52.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.79
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-ylidene]cyanamide?
The IUPAC name of [3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-ylidene]cyanamide (CID 15925117) is [3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-ylidene]cyanamide.
What is the SMILES notation for [3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-ylidene]cyanamide?
The canonical SMILES for [3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-ylidene]cyanamide is N#C/N=C1\SCCCN1Cc1cnc(Cl)s1.
What is the InChIKey of [3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-ylidene]cyanamide?
The InChIKey is JGLSGWGSWQOYDD-LCYFTJDESA-N. The full InChI is InChI=1S/C9H9ClN4S2/c10-8-12-4-7(16-8)5-14-2-1-3-15-9(14)13-6-11/h4H,1-3,5H2/b13-9-.
What are the key properties of [3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-ylidene]cyanamide?
[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-ylidene]cyanamide has a molecular weight of 272.79 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazinan-2-ylidene]cyanamide is sourced from PubChem (CID 15925117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).