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

C12H20N2O2S — CID 80575087

IUPACmethyl 2-[2-(2-methylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate
SMILESCCC(Nc1nc(CC(=O)OC)cs1)C(C)C
InChIInChI=1S/C12H20N2O2S/c1-5-10(8(2)3)14-12-13-9(7-17-12)6-11(15)16-4/h7-8,10H,5-6H2,1-4H3,(H,13,14)
InChIKeyBJKZSAYSKSHFGV-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.71
Rot. Bonds6

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

methyl 2-[2-(2-methylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 80575087) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is methyl 2-[2-(2-methylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-methylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate
PubChem CID80575087
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Namemethyl 2-[2-(2-methylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate
SMILESCCC(Nc1nc(CC(=O)OC)cs1)C(C)C
InChIInChI=1S/C12H20N2O2S/c1-5-10(8(2)3)14-12-13-9(7-17-12)6-11(15)16-4/h7-8,10H,5-6H2,1-4H3,(H,13,14)
InChIKeyBJKZSAYSKSHFGV-UHFFFAOYSA-N
XLogP2.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

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
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-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 80575239
2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid
CID 124512662
ethyl 2-[2-[[(2R)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 97170705
methyl 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate
CID 80574724
methyl 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80576562
methyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80575155
methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575405
ethyl 2-[2-(4-methylpentan-2-ylamino)-1,3-thiazol-4-yl]acetate
CID 80574798

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-methylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(2-methylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate (CID 80575087) is methyl 2-[2-(2-methylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(2-methylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(2-methylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate is CCC(Nc1nc(CC(=O)OC)cs1)C(C)C.
What is the InChIKey of methyl 2-[2-(2-methylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is BJKZSAYSKSHFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-10(8(2)3)14-12-13-9(7-17-12)6-11(15)16-4/h7-8,10H,5-6H2,1-4H3,(H,13,14).
What are the key properties of methyl 2-[2-(2-methylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(2-methylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 256.37 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-methylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80575087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).