2-[(dimethylamino)methyl]-4-ethyl-1,3-thiazole-5-carbothioamide

C9H15N3S2 — CID 82430404

IUPAC2-[(dimethylamino)methyl]-4-ethyl-1,3-thiazole-5-carbothioamide
SMILESCCc1nc(CN(C)C)sc1C(N)=S
InChIInChI=1S/C9H15N3S2/c1-4-6-8(9(10)13)14-7(11-6)5-12(2)3/h4-5H2,1-3H3,(H2,10,13)
InChIKeyLFQLFIGYRQVOBH-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.40
Rot. Bonds4

About 2-[(dimethylamino)methyl]-4-ethyl-1,3-thiazole-5-carbothioamide

2-[(dimethylamino)methyl]-4-ethyl-1,3-thiazole-5-carbothioamide (PubChem CID 82430404) has the molecular formula C9H15N3S2 and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-ethyl-1,3-thiazole-5-carbothioamide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-ethyl-1,3-thiazole-5-carbothioamide
PubChem CID82430404
Molecular FormulaC9H15N3S2
Molecular Weight229.37 g/mol
Exact Mass229.07
IUPAC Name2-[(dimethylamino)methyl]-4-ethyl-1,3-thiazole-5-carbothioamide
SMILESCCc1nc(CN(C)C)sc1C(N)=S
InChIInChI=1S/C9H15N3S2/c1-4-6-8(9(10)13)14-7(11-6)5-12(2)3/h4-5H2,1-3H3,(H2,10,13)
InChIKeyLFQLFIGYRQVOBH-UHFFFAOYSA-N
XLogP1.40
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.40
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-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazole-5-carbothioamide
CID 82430618
4-ethyl-2-methyl-1,3-thiazole-5-carbothioamide
CID 82428114
2-benzyl-4-ethyl-1,3-thiazole-5-carbothioamide
CID 82428384
2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazole-5-carbothioamide
CID 82430835
4-ethyl-2-[(4-ethylphenoxy)methyl]-1,3-thiazole-5-carbothioamide
CID 82428859
2-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazole-5-carbothioamide
CID 82428979
2-(diethylaminomethyl)-4-methyl-1,3-thiazole-5-carbothioamide
CID 82427411
4-ethyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide
CID 82430275
2-(diethylaminomethyl)-4-propan-2-yl-1,3-thiazole-5-carbothioamide
CID 82435210
4-ethyl-2-(3-methylphenyl)-1,3-thiazole-5-carbothioamide
CID 82428610
4-ethyl-2-(2-methoxyphenyl)-1,3-thiazole-5-carbothioamide
CID 82429979
4-ethyl-2-propyl-1,3-thiazole-5-carboximidamide
CID 82428484

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-ethyl-1,3-thiazole-5-carbothioamide?
The IUPAC name of 2-[(dimethylamino)methyl]-4-ethyl-1,3-thiazole-5-carbothioamide (CID 82430404) is 2-[(dimethylamino)methyl]-4-ethyl-1,3-thiazole-5-carbothioamide.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-ethyl-1,3-thiazole-5-carbothioamide?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-ethyl-1,3-thiazole-5-carbothioamide is CCc1nc(CN(C)C)sc1C(N)=S.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-ethyl-1,3-thiazole-5-carbothioamide?
The InChIKey is LFQLFIGYRQVOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S2/c1-4-6-8(9(10)13)14-7(11-6)5-12(2)3/h4-5H2,1-3H3,(H2,10,13).
What are the key properties of 2-[(dimethylamino)methyl]-4-ethyl-1,3-thiazole-5-carbothioamide?
2-[(dimethylamino)methyl]-4-ethyl-1,3-thiazole-5-carbothioamide has a molecular weight of 229.37 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-ethyl-1,3-thiazole-5-carbothioamide is sourced from PubChem (CID 82430404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).