N-(1,3-thiazol-2-yl)carbamodithioate;triethylazanium

C10H19N3S3 — CID 21453297

IUPACN-(1,3-thiazol-2-yl)carbamodithioate;triethylazanium
SMILESCC[NH+](CC)CC.S=C([S-])Nc1nccs1
InChIInChI=1S/C6H15N.C4H4N2S3/c1-4-7(5-2)6-3;7-4(8)6-3-5-1-2-9-3/h4-6H2,1-3H3;1-2H,(H2,5,6,7,8)
InChIKeyBAUDWVIJAFXHAF-UHFFFAOYSA-N
MW277.48 g/mol
LogP1.32
Rot. Bonds4

About N-(1,3-thiazol-2-yl)carbamodithioate;triethylazanium

N-(1,3-thiazol-2-yl)carbamodithioate;triethylazanium (PubChem CID 21453297) has the molecular formula C10H19N3S3 and a molecular weight of 277.48 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)carbamodithioate;triethylazanium.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)carbamodithioate;triethylazanium
PubChem CID21453297
Molecular FormulaC10H19N3S3
Molecular Weight277.48 g/mol
Exact Mass277.07
IUPAC NameN-(1,3-thiazol-2-yl)carbamodithioate;triethylazanium
SMILESCC[NH+](CC)CC.S=C([S-])Nc1nccs1
InChIInChI=1S/C6H15N.C4H4N2S3/c1-4-7(5-2)6-3;7-4(8)6-3-5-1-2-9-3/h4-6H2,1-3H3;1-2H,(H2,5,6,7,8)
InChIKeyBAUDWVIJAFXHAF-UHFFFAOYSA-N
XLogP1.32
TPSA29.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

2-Aminothiazole
CID 2155
3-Ethyl-1-(1,3-thiazol-2-yl)urea
CID 2382314
1-Propyl-3-(1,3-thiazol-2-yl)urea
CID 2130249
N,N-diethylethanamine;1,3-thiazol-2-ylcarbamodithioic acid
CID 12657202
N-Methyl-N'-1,3-thiazol-2-ylurea
CID 326069
1-[2-(1-Piperidyl)ethyl]-3-thiazol-2-yl-thiourea
CID 3003035
Urea, 1-methyl-3-(2-thiazolyl)-2-thio-
CID 3037328
1-(Thiazol-2-yl)piperazine
CID 911806
N-methyl-1,3-thiazol-2-amine
CID 11959081
N-propyl-1,3-thiazol-2-amine
CID 12707503
N-Ethyl-1,3-thiazol-2-amine
CID 13699275
1-(1,3-Thiazol-2-yl)piperazine--hydrogen chloride (1/2)
CID 21925413

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)carbamodithioate;triethylazanium?
The IUPAC name of N-(1,3-thiazol-2-yl)carbamodithioate;triethylazanium (CID 21453297) is N-(1,3-thiazol-2-yl)carbamodithioate;triethylazanium.
What is the SMILES notation for N-(1,3-thiazol-2-yl)carbamodithioate;triethylazanium?
The canonical SMILES for N-(1,3-thiazol-2-yl)carbamodithioate;triethylazanium is CC[NH+](CC)CC.S=C([S-])Nc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)carbamodithioate;triethylazanium?
The InChIKey is BAUDWVIJAFXHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4H4N2S3/c1-4-7(5-2)6-3;7-4(8)6-3-5-1-2-9-3/h4-6H2,1-3H3;1-2H,(H2,5,6,7,8).
What are the key properties of N-(1,3-thiazol-2-yl)carbamodithioate;triethylazanium?
N-(1,3-thiazol-2-yl)carbamodithioate;triethylazanium has a molecular weight of 277.48 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)carbamodithioate;triethylazanium is sourced from PubChem (CID 21453297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).