N-tert-butylsulfanyl-1-(1,3-thiazol-5-yl)methanimine

C8H12N2S2 — CID 175560337

IUPACN-tert-butylsulfanyl-1-(1,3-thiazol-5-yl)methanimine
SMILESCC(C)(C)SN=Cc1cncs1
InChIInChI=1S/C8H12N2S2/c1-8(2,3)12-10-5-7-4-9-6-11-7/h4-6H,1-3H3
InChIKeyGTEMSMWFGZVNMY-UHFFFAOYSA-N
MW200.33 g/mol
LogP3.01
Rot. Bonds2

About N-tert-butylsulfanyl-1-(1,3-thiazol-5-yl)methanimine

N-tert-butylsulfanyl-1-(1,3-thiazol-5-yl)methanimine (PubChem CID 175560337) has the molecular formula C8H12N2S2 and a molecular weight of 200.33 g/mol. Its IUPAC name is N-tert-butylsulfanyl-1-(1,3-thiazol-5-yl)methanimine.

Molecular Properties

Compound NameN-tert-butylsulfanyl-1-(1,3-thiazol-5-yl)methanimine
PubChem CID175560337
Molecular FormulaC8H12N2S2
Molecular Weight200.33 g/mol
Exact Mass200.04
IUPAC NameN-tert-butylsulfanyl-1-(1,3-thiazol-5-yl)methanimine
SMILESCC(C)(C)SN=Cc1cncs1
InChIInChI=1S/C8H12N2S2/c1-8(2,3)12-10-5-7-4-9-6-11-7/h4-6H,1-3H3
InChIKeyGTEMSMWFGZVNMY-UHFFFAOYSA-N
XLogP3.01
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(R)-2-methyl-N-(1,3-thiazol-5-ylmethylidene)propane-2-sulfinamide
CID 172744712
ethane;1,3-thiazole-5-carbaldehyde
CID 143223157
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)methanimine
CID 18391469
(Z)-N-tert-butylsulfanyl-1-(3,6-dibromo-2-pyridinyl)methanimine
CID 134275991
4-methyl-N-[(E)-1,3-thiazol-5-ylmethylideneamino]thiadiazole-5-carboxamide
CID 146025236
3-(1,3-thiazol-5-yl)prop-2-enoic acid
CID 67437915
2,2-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-3-amine
CID 115717805
(Z)-2-azido-3-(1,3-thiazol-5-yl)prop-2-enal
CID 173493810
(E)-N-(4-tert-butylsulfanyl-2-methylphenyl)-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 166232180
5-(piperidin-4-ylidenemethyl)-1,3-thiazole
CID 112645499
5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole
CID 59305650
N,N-dimethyl-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 68849301

Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfanyl-1-(1,3-thiazol-5-yl)methanimine?
The IUPAC name of N-tert-butylsulfanyl-1-(1,3-thiazol-5-yl)methanimine (CID 175560337) is N-tert-butylsulfanyl-1-(1,3-thiazol-5-yl)methanimine.
What is the SMILES notation for N-tert-butylsulfanyl-1-(1,3-thiazol-5-yl)methanimine?
The canonical SMILES for N-tert-butylsulfanyl-1-(1,3-thiazol-5-yl)methanimine is CC(C)(C)SN=Cc1cncs1.
What is the InChIKey of N-tert-butylsulfanyl-1-(1,3-thiazol-5-yl)methanimine?
The InChIKey is GTEMSMWFGZVNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S2/c1-8(2,3)12-10-5-7-4-9-6-11-7/h4-6H,1-3H3.
What are the key properties of N-tert-butylsulfanyl-1-(1,3-thiazol-5-yl)methanimine?
N-tert-butylsulfanyl-1-(1,3-thiazol-5-yl)methanimine has a molecular weight of 200.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfanyl-1-(1,3-thiazol-5-yl)methanimine is sourced from PubChem (CID 175560337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).