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

C14H24N2O2S — CID 103487703

IUPACethyl 3-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(N(C)C(C)(C)CC)n1
InChIInChI=1S/C14H24N2O2S/c1-6-14(3,4)16(5)13-15-11(10-19-13)8-9-12(17)18-7-2/h10H,6-9H2,1-5H3
InChIKeyBOXVZGKPRPRIOT-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.26
Rot. Bonds7

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

ethyl 3-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoate (PubChem CID 103487703) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is ethyl 3-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
PubChem CID103487703
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Nameethyl 3-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(N(C)C(C)(C)CC)n1
InChIInChI=1S/C14H24N2O2S/c1-6-14(3,4)16(5)13-15-11(10-19-13)8-9-12(17)18-7-2/h10H,6-9H2,1-5H3
InChIKeyBOXVZGKPRPRIOT-UHFFFAOYSA-N
XLogP3.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[2-[methyl(2-methylbutyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486175
ethyl 3-[2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486363
ethyl 3-[2-[ethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486127
ethyl 3-[2-[2-ethoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103488236
ethyl 3-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486474
ethyl 3-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]propanoate
CID 103485384
ethyl 3-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propanoate
CID 103485371
ethyl 3-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486910
methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate
CID 107039652
ethyl 3-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103485969
ethyl 3-[2-[2-(diethylamino)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 103485900
ethyl 3-[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103487842

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoate (CID 103487703) is ethyl 3-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoate is CCOC(=O)CCc1csc(N(C)C(C)(C)CC)n1.
What is the InChIKey of ethyl 3-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoate?
The InChIKey is BOXVZGKPRPRIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-6-14(3,4)16(5)13-15-11(10-19-13)8-9-12(17)18-7-2/h10H,6-9H2,1-5H3.
What are the key properties of ethyl 3-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoate?
ethyl 3-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoate has a molecular weight of 284.43 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 103487703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).