(5-chloro-1,3-thiazol-2-yl)methyl N'-methylcarbamimidothioate;hydrochloride

C6H9Cl2N3S2 — CID 130993046

IUPAC(5-chloro-1,3-thiazol-2-yl)methyl N'-methylcarbamimidothioate;hydrochloride
SMILESC/N=C(\N)SCc1ncc(Cl)s1.Cl
InChIInChI=1S/C6H8ClN3S2.ClH/c1-9-6(8)11-3-5-10-2-4(7)12-5;/h2H,3H2,1H3,(H2,8,9);1H
InChIKeyBKPCYBSYLYVWIP-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.40
Rot. Bonds2

About (5-chloro-1,3-thiazol-2-yl)methyl N'-methylcarbamimidothioate;hydrochloride

(5-chloro-1,3-thiazol-2-yl)methyl N'-methylcarbamimidothioate;hydrochloride (PubChem CID 130993046) has the molecular formula C6H9Cl2N3S2 and a molecular weight of 258.20 g/mol. Its IUPAC name is (5-chloro-1,3-thiazol-2-yl)methyl N'-methylcarbamimidothioate;hydrochloride.

Molecular Properties

Compound Name(5-chloro-1,3-thiazol-2-yl)methyl N'-methylcarbamimidothioate;hydrochloride
PubChem CID130993046
Molecular FormulaC6H9Cl2N3S2
Molecular Weight258.20 g/mol
Exact Mass256.96
IUPAC Name(5-chloro-1,3-thiazol-2-yl)methyl N'-methylcarbamimidothioate;hydrochloride
SMILESC/N=C(\N)SCc1ncc(Cl)s1.Cl
InChIInChI=1S/C6H8ClN3S2.ClH/c1-9-6(8)11-3-5-10-2-4(7)12-5;/h2H,3H2,1H3,(H2,8,9);1H
InChIKeyBKPCYBSYLYVWIP-UHFFFAOYSA-N
XLogP2.40
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.40
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3-thiazol-2-yl)methyl N'-methylcarbamimidothioate;hydrochloride?
The IUPAC name of (5-chloro-1,3-thiazol-2-yl)methyl N'-methylcarbamimidothioate;hydrochloride (CID 130993046) is (5-chloro-1,3-thiazol-2-yl)methyl N'-methylcarbamimidothioate;hydrochloride.
What is the SMILES notation for (5-chloro-1,3-thiazol-2-yl)methyl N'-methylcarbamimidothioate;hydrochloride?
The canonical SMILES for (5-chloro-1,3-thiazol-2-yl)methyl N'-methylcarbamimidothioate;hydrochloride is C/N=C(\N)SCc1ncc(Cl)s1.Cl.
What is the InChIKey of (5-chloro-1,3-thiazol-2-yl)methyl N'-methylcarbamimidothioate;hydrochloride?
The InChIKey is BKPCYBSYLYVWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3S2.ClH/c1-9-6(8)11-3-5-10-2-4(7)12-5;/h2H,3H2,1H3,(H2,8,9);1H.
What are the key properties of (5-chloro-1,3-thiazol-2-yl)methyl N'-methylcarbamimidothioate;hydrochloride?
(5-chloro-1,3-thiazol-2-yl)methyl N'-methylcarbamimidothioate;hydrochloride has a molecular weight of 258.20 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,3-thiazol-2-yl)methyl N'-methylcarbamimidothioate;hydrochloride is sourced from PubChem (CID 130993046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).