N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide

C13H18N4O2S2 — CID 119735206

IUPACN-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1nc(-c2sc(C)nc2C)cs1
InChIInChI=1S/C13H18N4O2S2/c1-8-12(21-9(2)15-8)10-7-20-13(16-10)17-11(18)6-14-4-5-19-3/h7,14H,4-6H2,1-3H3,(H,16,17,18)
InChIKeyTZJJINRJFMYBGY-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.06
Rot. Bonds7

About N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide

N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide (PubChem CID 119735206) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide
PubChem CID119735206
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC NameN-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1nc(-c2sc(C)nc2C)cs1
InChIInChI=1S/C13H18N4O2S2/c1-8-12(21-9(2)15-8)10-7-20-13(16-10)17-11(18)6-14-4-5-19-3/h7,14H,4-6H2,1-3H3,(H,16,17,18)
InChIKeyTZJJINRJFMYBGY-UHFFFAOYSA-N
XLogP2.06
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119670239
2-(2-methoxyethylamino)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119711421
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 119677844
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 119711335
1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylurea
CID 126664102
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119676953
2-(3-methoxypropylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 42769830
4,5-dibromo-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 166377921
N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]formamide
CID 126664103
N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide
CID 44753805
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119699062
N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(4-propylsulfonylphenyl)acetamide
CID 163515050

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide (CID 119735206) is N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)Nc1nc(-c2sc(C)nc2C)cs1.
What is the InChIKey of N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is TZJJINRJFMYBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-8-12(21-9(2)15-8)10-7-20-13(16-10)17-11(18)6-14-4-5-19-3/h7,14H,4-6H2,1-3H3,(H,16,17,18).
What are the key properties of N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide?
N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 326.45 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 119735206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).