N,N-dimethyl-N'-(4-sulfanylidene-1,3-thiazol-2-yl)methanimidamide

C6H9N3S2 — CID 146952875

IUPACN,N-dimethyl-N'-(4-sulfanylidene-1,3-thiazol-2-yl)methanimidamide
SMILESCN(C)C=NC1=NC(=S)CS1
InChIInChI=1S/C6H9N3S2/c1-9(2)4-7-6-8-5(10)3-11-6/h4H,3H2,1-2H3
InChIKeyAJBJUNBUUJZLQU-UHFFFAOYSA-N
MW187.29 g/mol
LogP1.01
Rot. Bonds1

About N,N-dimethyl-N'-(4-sulfanylidene-1,3-thiazol-2-yl)methanimidamide

N,N-dimethyl-N'-(4-sulfanylidene-1,3-thiazol-2-yl)methanimidamide (PubChem CID 146952875) has the molecular formula C6H9N3S2 and a molecular weight of 187.29 g/mol. Its IUPAC name is N,N-dimethyl-N'-(4-sulfanylidene-1,3-thiazol-2-yl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(4-sulfanylidene-1,3-thiazol-2-yl)methanimidamide
PubChem CID146952875
Molecular FormulaC6H9N3S2
Molecular Weight187.29 g/mol
Exact Mass187.02
IUPAC NameN,N-dimethyl-N'-(4-sulfanylidene-1,3-thiazol-2-yl)methanimidamide
SMILESCN(C)C=NC1=NC(=S)CS1
InChIInChI=1S/C6H9N3S2/c1-9(2)4-7-6-8-5(10)3-11-6/h4H,3H2,1-2H3
InChIKeyAJBJUNBUUJZLQU-UHFFFAOYSA-N
XLogP1.01
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-Dimethylaminothiazoline
CID 12217249
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide
CID 10607023
N,N,5-trimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 12718867
N-ethyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 18728209
ethyl N,N,N'-trimethylcarbamimidothioate
CID 21721187
N-(4,5-dihydro-1,3-thiazol-2-yl)-N-methylthiohydroxylamine
CID 21721368
N'-(3-methanethioyl-1,2,4-dithiazol-3-yl)-N,N-dimethylmethanimidamide
CID 174864959
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide
CID 21783581
4-Thiazolidinethione, 3-methyl-2-(methylimino)-
CID 45118439

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(4-sulfanylidene-1,3-thiazol-2-yl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(4-sulfanylidene-1,3-thiazol-2-yl)methanimidamide (CID 146952875) is N,N-dimethyl-N'-(4-sulfanylidene-1,3-thiazol-2-yl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(4-sulfanylidene-1,3-thiazol-2-yl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(4-sulfanylidene-1,3-thiazol-2-yl)methanimidamide is CN(C)C=NC1=NC(=S)CS1.
What is the InChIKey of N,N-dimethyl-N'-(4-sulfanylidene-1,3-thiazol-2-yl)methanimidamide?
The InChIKey is AJBJUNBUUJZLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S2/c1-9(2)4-7-6-8-5(10)3-11-6/h4H,3H2,1-2H3.
What are the key properties of N,N-dimethyl-N'-(4-sulfanylidene-1,3-thiazol-2-yl)methanimidamide?
N,N-dimethyl-N'-(4-sulfanylidene-1,3-thiazol-2-yl)methanimidamide has a molecular weight of 187.29 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(4-sulfanylidene-1,3-thiazol-2-yl)methanimidamide is sourced from PubChem (CID 146952875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).