(2-ethyl-1,3-thiazol-4-yl)methyl carbamimidothioate

C7H11N3S2 — CID 65211790

IUPAC(2-ethyl-1,3-thiazol-4-yl)methyl carbamimidothioate
SMILES[H]/N=C(\N)SCc1csc(CC)n1
InChIInChI=1S/C7H11N3S2/c1-2-6-10-5(3-11-6)4-12-7(8)9/h3H,2,4H2,1H3,(H3,8,9)
InChIKeyMFNANMHQOUZKIR-UHFFFAOYSA-N
MW201.32 g/mol
LogP1.83
Rot. Bonds3

About (2-ethyl-1,3-thiazol-4-yl)methyl carbamimidothioate

(2-ethyl-1,3-thiazol-4-yl)methyl carbamimidothioate (PubChem CID 65211790) has the molecular formula C7H11N3S2 and a molecular weight of 201.32 g/mol. Its IUPAC name is (2-ethyl-1,3-thiazol-4-yl)methyl carbamimidothioate.

Molecular Properties

Compound Name(2-ethyl-1,3-thiazol-4-yl)methyl carbamimidothioate
PubChem CID65211790
Molecular FormulaC7H11N3S2
Molecular Weight201.32 g/mol
Exact Mass201.04
IUPAC Name(2-ethyl-1,3-thiazol-4-yl)methyl carbamimidothioate
SMILES[H]/N=C(\N)SCc1csc(CC)n1
InChIInChI=1S/C7H11N3S2/c1-2-6-10-5(3-11-6)4-12-7(8)9/h3H,2,4H2,1H3,(H3,8,9)
InChIKeyMFNANMHQOUZKIR-UHFFFAOYSA-N
XLogP1.83
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl carbamimidothioate
CID 65211721
2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol
CID 115659723
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
2-amino-4-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]butanoic acid
CID 60929744
(2-ethyl-1,3-thiazol-4-yl)methanethiol
CID 39099702
3-bromo-4-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 82840747
2-(4-ethyl-1,3-thiazol-2-yl)acetamide
CID 116970126
2-(2-ethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 130662599
2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]ethanimidamide
CID 149175653
[4-(diaminomethylsulfanylmethyl)thiophen-3-yl]methyl carbamimidothioate
CID 155019877
2-ethyl-4-pentyl-1,3-thiazole
CID 130290438
N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110927708

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,3-thiazol-4-yl)methyl carbamimidothioate?
The IUPAC name of (2-ethyl-1,3-thiazol-4-yl)methyl carbamimidothioate (CID 65211790) is (2-ethyl-1,3-thiazol-4-yl)methyl carbamimidothioate.
What is the SMILES notation for (2-ethyl-1,3-thiazol-4-yl)methyl carbamimidothioate?
The canonical SMILES for (2-ethyl-1,3-thiazol-4-yl)methyl carbamimidothioate is [H]/N=C(\N)SCc1csc(CC)n1.
What is the InChIKey of (2-ethyl-1,3-thiazol-4-yl)methyl carbamimidothioate?
The InChIKey is MFNANMHQOUZKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S2/c1-2-6-10-5(3-11-6)4-12-7(8)9/h3H,2,4H2,1H3,(H3,8,9).
What are the key properties of (2-ethyl-1,3-thiazol-4-yl)methyl carbamimidothioate?
(2-ethyl-1,3-thiazol-4-yl)methyl carbamimidothioate has a molecular weight of 201.32 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-thiazol-4-yl)methyl carbamimidothioate is sourced from PubChem (CID 65211790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).