methyl 2-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetate

C10H16N2O2S — CID 62013509

IUPACmethyl 2-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetate
SMILESCCN(CC(=O)OC)Cc1csc(C)n1
InChIInChI=1S/C10H16N2O2S/c1-4-12(6-10(13)14-3)5-9-7-15-8(2)11-9/h7H,4-6H2,1-3H3
InChIKeyPTIHZTPXQZSUSW-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.45
Rot. Bonds5

About methyl 2-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetate

methyl 2-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetate (PubChem CID 62013509) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is methyl 2-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetate
PubChem CID62013509
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Namemethyl 2-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetate
SMILESCCN(CC(=O)OC)Cc1csc(C)n1
InChIInChI=1S/C10H16N2O2S/c1-4-12(6-10(13)14-3)5-9-7-15-8(2)11-9/h7H,4-6H2,1-3H3
InChIKeyPTIHZTPXQZSUSW-UHFFFAOYSA-N
XLogP1.45
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(diethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 86855478
methyl 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-ethylamino]propanoate
CID 62026044
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850
methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate
CID 47290724
2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetic acid
CID 61012423
2-[(2-methyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]acetic acid
CID 79276363
1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
CID 62044439
methyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 106035988
methyl 2-[(3,6-dichloro-2-pyridinyl)methyl-ethylamino]acetate
CID 62890414
4-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 54986992
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680112
ethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 110359539

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetate?
The IUPAC name of methyl 2-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetate (CID 62013509) is methyl 2-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetate is CCN(CC(=O)OC)Cc1csc(C)n1.
What is the InChIKey of methyl 2-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetate?
The InChIKey is PTIHZTPXQZSUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-4-12(6-10(13)14-3)5-9-7-15-8(2)11-9/h7H,4-6H2,1-3H3.
What are the key properties of methyl 2-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetate?
methyl 2-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetate has a molecular weight of 228.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetate is sourced from PubChem (CID 62013509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).