(R)-2-methyl-N-(1,3-thiazol-5-ylmethylidene)propane-2-sulfinamide

C8H12N2OS2 — CID 172744712

IUPAC(R)-2-methyl-N-(1,3-thiazol-5-ylmethylidene)propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=Cc1cncs1
InChIInChI=1S/C8H12N2OS2/c1-8(2,3)13(11)10-5-7-4-9-6-12-7/h4-6H,1-3H3/t13-/m1/s1
InChIKeyJOKAZDLCQSIQQU-CYBMUJFWSA-N
MW216.33 g/mol
LogP2.02
Rot. Bonds2

About (R)-2-methyl-N-(1,3-thiazol-5-ylmethylidene)propane-2-sulfinamide

(R)-2-methyl-N-(1,3-thiazol-5-ylmethylidene)propane-2-sulfinamide (PubChem CID 172744712) has the molecular formula C8H12N2OS2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (R)-2-methyl-N-(1,3-thiazol-5-ylmethylidene)propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-(1,3-thiazol-5-ylmethylidene)propane-2-sulfinamide
PubChem CID172744712
Molecular FormulaC8H12N2OS2
Molecular Weight216.33 g/mol
Exact Mass216.04
IUPAC Name(R)-2-methyl-N-(1,3-thiazol-5-ylmethylidene)propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=Cc1cncs1
InChIInChI=1S/C8H12N2OS2/c1-8(2,3)13(11)10-5-7-4-9-6-12-7/h4-6H,1-3H3/t13-/m1/s1
InChIKeyJOKAZDLCQSIQQU-CYBMUJFWSA-N
XLogP2.02
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butylsulfanyl-1-(1,3-thiazol-5-yl)methanimine
CID 175560337
ethane;1,3-thiazole-5-carbaldehyde
CID 143223157
2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methylidene]propane-2-sulfinamide
CID 138705555
(S)-2-methyl-N-[(1-methylpyrazol-4-yl)methylidene]propane-2-sulfinamide
CID 86711991
(NE)-2-methyl-N-[(3-methylthiophen-2-yl)methylidene]propane-2-sulfinamide
CID 122358786
(R)-N-[(3,4-dichlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 67122775
N-[(4-chloro-5-fluoro-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167527078
(NE,R)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methylidene]propane-2-sulfinamide
CID 136622538
(R)-2-methyl-N-[(5-pyridin-2-ylthiophen-2-yl)methylidene]propane-2-sulfinamide
CID 123911781
N-[[2-(difluoromethoxy)pyrimidin-5-yl]methylidene]-2-methylpropane-2-sulfinamide
CID 162509680
(R)-N-[(5-chloro-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
CID 138110985
(NE,S)-N-[(6-bromo-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
CID 163337448

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-(1,3-thiazol-5-ylmethylidene)propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-(1,3-thiazol-5-ylmethylidene)propane-2-sulfinamide (CID 172744712) is (R)-2-methyl-N-(1,3-thiazol-5-ylmethylidene)propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-(1,3-thiazol-5-ylmethylidene)propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-(1,3-thiazol-5-ylmethylidene)propane-2-sulfinamide is CC(C)(C)[S@@](=O)N=Cc1cncs1.
What is the InChIKey of (R)-2-methyl-N-(1,3-thiazol-5-ylmethylidene)propane-2-sulfinamide?
The InChIKey is JOKAZDLCQSIQQU-CYBMUJFWSA-N. The full InChI is InChI=1S/C8H12N2OS2/c1-8(2,3)13(11)10-5-7-4-9-6-12-7/h4-6H,1-3H3/t13-/m1/s1.
What are the key properties of (R)-2-methyl-N-(1,3-thiazol-5-ylmethylidene)propane-2-sulfinamide?
(R)-2-methyl-N-(1,3-thiazol-5-ylmethylidene)propane-2-sulfinamide has a molecular weight of 216.33 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-(1,3-thiazol-5-ylmethylidene)propane-2-sulfinamide is sourced from PubChem (CID 172744712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).