(2-methyl-1,3-thiazol-4-yl)methyl N,N-diethylcarbamodithioate

C10H16N2S3 — CID 588965

IUPAC(2-methyl-1,3-thiazol-4-yl)methyl N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SCc1csc(C)n1
InChIInChI=1S/C10H16N2S3/c1-4-12(5-2)10(13)15-7-9-6-14-8(3)11-9/h6H,4-5,7H2,1-3H3
InChIKeyUEVFHIRMCYPMHU-UHFFFAOYSA-N
MW260.45 g/mol
LogP3.31
Rot. Bonds4

About (2-methyl-1,3-thiazol-4-yl)methyl N,N-diethylcarbamodithioate

(2-methyl-1,3-thiazol-4-yl)methyl N,N-diethylcarbamodithioate (PubChem CID 588965) has the molecular formula C10H16N2S3 and a molecular weight of 260.45 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)methyl N,N-diethylcarbamodithioate.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)methyl N,N-diethylcarbamodithioate
PubChem CID588965
Molecular FormulaC10H16N2S3
Molecular Weight260.45 g/mol
Exact Mass260.05
IUPAC Name(2-methyl-1,3-thiazol-4-yl)methyl N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SCc1csc(C)n1
InChIInChI=1S/C10H16N2S3/c1-4-12(5-2)10(13)15-7-9-6-14-8(3)11-9/h6H,4-5,7H2,1-3H3
InChIKeyUEVFHIRMCYPMHU-UHFFFAOYSA-N
XLogP3.31
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 43299423
2-[ethyl-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]amino]acetic acid
CID 119205914
N,N-diethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
CID 54935908
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate
CID 7131479
2-ethylsulfanyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole
CID 84602773
3-[ethyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2-methylpropanoic acid
CID 55123103
ethyl 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoate
CID 112725057
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propylthiourea
CID 115587578
3-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]butanoic acid
CID 43360903
N-benzyl-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane
CID 143940536
1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 62799842

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)methyl N,N-diethylcarbamodithioate?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)methyl N,N-diethylcarbamodithioate (CID 588965) is (2-methyl-1,3-thiazol-4-yl)methyl N,N-diethylcarbamodithioate.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)methyl N,N-diethylcarbamodithioate?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)methyl N,N-diethylcarbamodithioate is CCN(CC)C(=S)SCc1csc(C)n1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)methyl N,N-diethylcarbamodithioate?
The InChIKey is UEVFHIRMCYPMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S3/c1-4-12(5-2)10(13)15-7-9-6-14-8(3)11-9/h6H,4-5,7H2,1-3H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)methyl N,N-diethylcarbamodithioate?
(2-methyl-1,3-thiazol-4-yl)methyl N,N-diethylcarbamodithioate has a molecular weight of 260.45 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)methyl N,N-diethylcarbamodithioate is sourced from PubChem (CID 588965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).