methyl 4-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoate

C11H17N3O3S — CID 108726651

IUPACmethyl 4-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)Nc1nc(CN(C)C)cs1
InChIInChI=1S/C11H17N3O3S/c1-14(2)6-8-7-18-11(12-8)13-9(15)4-5-10(16)17-3/h7H,4-6H2,1-3H3,(H,12,13,15)
InChIKeySQVDARNTODPDNJ-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.10
Rot. Bonds6

About methyl 4-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoate

methyl 4-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoate (PubChem CID 108726651) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is methyl 4-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoate
PubChem CID108726651
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Namemethyl 4-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)Nc1nc(CN(C)C)cs1
InChIInChI=1S/C11H17N3O3S/c1-14(2)6-8-7-18-11(12-8)13-9(15)4-5-10(16)17-3/h7H,4-6H2,1-3H3,(H,12,13,15)
InChIKeySQVDARNTODPDNJ-UHFFFAOYSA-N
XLogP1.10
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 108726536
methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62589885
methyl 2-[2-(heptanoylamino)-1,3-thiazol-4-yl]acetate
CID 43431303
N-(4-ethyl-1,3-thiazol-2-yl)butanamide
CID 87065374
methyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62715992
N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(4-nitrophenoxy)acetamide
CID 108726626
N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetamide
CID 108750661
methyl 2-[2-[3-(4-methoxyphenyl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 38987123
methyl 2-[2-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-1,3-thiazol-4-yl]acetate
CID 38984448
N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]butanamide
CID 130668454
1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-ethylthiourea
CID 108780363
methyl 2-[2-[(2-methylsulfonylacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 61354731

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoate?
The IUPAC name of methyl 4-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoate (CID 108726651) is methyl 4-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoate?
The canonical SMILES for methyl 4-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoate is COC(=O)CCC(=O)Nc1nc(CN(C)C)cs1.
What is the InChIKey of methyl 4-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoate?
The InChIKey is SQVDARNTODPDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-14(2)6-8-7-18-11(12-8)13-9(15)4-5-10(16)17-3/h7H,4-6H2,1-3H3,(H,12,13,15).
What are the key properties of methyl 4-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoate?
methyl 4-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoate has a molecular weight of 271.34 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoate is sourced from PubChem (CID 108726651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).