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

C14H25N3O2S — CID 80575239

IUPACmethyl 2-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(CC(C)C)CN(C)C)n1
InChIInChI=1S/C14H25N3O2S/c1-10(2)6-11(8-17(3)4)15-14-16-12(9-20-14)7-13(18)19-5/h9-11H,6-8H2,1-5H3,(H,15,16)
InChIKeyROZQUPCOGNTJFN-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.25
Rot. Bonds8

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

methyl 2-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 80575239) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is methyl 2-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID80575239
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Namemethyl 2-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(CC(C)C)CN(C)C)n1
InChIInChI=1S/C14H25N3O2S/c1-10(2)6-11(8-17(3)4)15-14-16-12(9-20-14)7-13(18)19-5/h9-11H,6-8H2,1-5H3,(H,15,16)
InChIKeyROZQUPCOGNTJFN-UHFFFAOYSA-N
XLogP2.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 3-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]propanoate
CID 107040131
2-N-(4-ethyl-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 62961188
methyl 2-[2-(2-methylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate
CID 80575087
methyl 2-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazol-4-yl]acetate
CID 106347390
methyl 2-[2-(1-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate
CID 80574502
ethyl 2-[2-(4-methylpentan-2-ylamino)-1,3-thiazol-4-yl]acetate
CID 80574798
methyl 2-[2-[[2-(methoxycarbonylamino)-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 51106830
methyl 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80576562
methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575405
methyl 2-[2-[5-(diethylamino)pentan-2-ylamino]-1,3-thiazol-4-yl]acetate
CID 80574015
methyl 2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazol-4-yl]acetate
CID 80574678
methyl 2-[2-(1-amino-3-methylbutyl)-1,3-thiazol-4-yl]acetate
CID 112510215

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetate (CID 80575239) is methyl 2-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC(CC(C)C)CN(C)C)n1.
What is the InChIKey of methyl 2-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is ROZQUPCOGNTJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-10(2)6-11(8-17(3)4)15-14-16-12(9-20-14)7-13(18)19-5/h9-11H,6-8H2,1-5H3,(H,15,16).
What are the key properties of methyl 2-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 299.44 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80575239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).