2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbothioamide

C7H10N2OS2 — CID 82427335

IUPAC2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbothioamide
SMILESCOCc1nc(C)c(C(N)=S)s1
InChIInChI=1S/C7H10N2OS2/c1-4-6(7(8)11)12-5(9-4)3-10-2/h3H2,1-2H3,(H2,8,11)
InChIKeyBCHDXWPIEPPJES-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.23
Rot. Bonds3

About 2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbothioamide

2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbothioamide (PubChem CID 82427335) has the molecular formula C7H10N2OS2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbothioamide.

Molecular Properties

Compound Name2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbothioamide
PubChem CID82427335
Molecular FormulaC7H10N2OS2
Molecular Weight202.30 g/mol
Exact Mass202.02
IUPAC Name2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbothioamide
SMILESCOCc1nc(C)c(C(N)=S)s1
InChIInChI=1S/C7H10N2OS2/c1-4-6(7(8)11)12-5(9-4)3-10-2/h3H2,1-2H3,(H2,8,11)
InChIKeyBCHDXWPIEPPJES-UHFFFAOYSA-N
XLogP1.23
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carbothioamide
CID 82425986
2-(diethylaminomethyl)-4-methyl-1,3-thiazole-5-carbothioamide
CID 82427411
2-[2-(2-methoxyphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carbothioamide
CID 82426928
4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazole-5-carbothioamide
CID 82440690
5-ethyl-2-(methoxymethyl)-4-methyl-1,3-thiazole
CID 129301399
3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]butanoic acid
CID 120522680
2-(methoxymethyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
CID 110374853
2-cyclopropyl-4-(methoxymethyl)-1,3-thiazole-5-carbothioamide
CID 82440824
2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbothioamide
CID 82441798
2-(methoxymethyl)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 110374872
N-[(4-chlorophenyl)methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374810
2-(methoxymethyl)-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374817

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbothioamide?
The IUPAC name of 2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbothioamide (CID 82427335) is 2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbothioamide.
What is the SMILES notation for 2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbothioamide?
The canonical SMILES for 2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbothioamide is COCc1nc(C)c(C(N)=S)s1.
What is the InChIKey of 2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbothioamide?
The InChIKey is BCHDXWPIEPPJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS2/c1-4-6(7(8)11)12-5(9-4)3-10-2/h3H2,1-2H3,(H2,8,11).
What are the key properties of 2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbothioamide?
2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbothioamide has a molecular weight of 202.30 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbothioamide is sourced from PubChem (CID 82427335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).