2-(2-methyl-1,3-thiazol-4-yl)ethanethioamide

C6H8N2S2 — CID 25312775

IUPAC2-(2-methyl-1,3-thiazol-4-yl)ethanethioamide
SMILESCc1nc(CC(N)=S)cs1
InChIInChI=1S/C6H8N2S2/c1-4-8-5(3-10-4)2-6(7)9/h3H,2H2,1H3,(H2,7,9)
InChIKeyDIPOGENEJOSFDE-UHFFFAOYSA-N
MW172.28 g/mol
LogP1.28
Rot. Bonds2

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

2-(2-methyl-1,3-thiazol-4-yl)ethanethioamide (PubChem CID 25312775) has the molecular formula C6H8N2S2 and a molecular weight of 172.28 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)ethanethioamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)ethanethioamide
PubChem CID25312775
Molecular FormulaC6H8N2S2
Molecular Weight172.28 g/mol
Exact Mass172.01
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)ethanethioamide
SMILESCc1nc(CC(N)=S)cs1
InChIInChI=1S/C6H8N2S2/c1-4-8-5(3-10-4)2-6(7)9/h3H,2H2,1H3,(H2,7,9)
InChIKeyDIPOGENEJOSFDE-UHFFFAOYSA-N
XLogP1.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Ethyl-2-methylthiazole
CID 520568
2,4-Diethylthiazole
CID 122576
4-(beta-Aminoethyl)thiazole
CID 192849
2-Methyl-4-(1-methylethyl)thiazole
CID 520569
4-Ethyl-2-propylthiazole
CID 521078
4-Methyl-2-thiazoleethanethioamide
CID 4962476
4-Methyl-2-propylthiazole
CID 521382
2-(2-Methyl-1,3-thiazol-4-yl)ethan-1-amine
CID 7536518
2-(4-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 3422636
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 3241103
2-Methyl-4-propylthiazole
CID 39071
Methyl(2-(4-methyl-1,3-thiazol-2-yl)ethyl)amine
CID 4407731

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)ethanethioamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)ethanethioamide (CID 25312775) is 2-(2-methyl-1,3-thiazol-4-yl)ethanethioamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)ethanethioamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)ethanethioamide is Cc1nc(CC(N)=S)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)ethanethioamide?
The InChIKey is DIPOGENEJOSFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S2/c1-4-8-5(3-10-4)2-6(7)9/h3H,2H2,1H3,(H2,7,9).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)ethanethioamide?
2-(2-methyl-1,3-thiazol-4-yl)ethanethioamide has a molecular weight of 172.28 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)ethanethioamide is sourced from PubChem (CID 25312775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).