2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid

C14H24N2O2S — CID 112752467

IUPAC2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid
SMILESCCCN(CC)c1nc(C(CC)(CC)C(=O)O)cs1
InChIInChI=1S/C14H24N2O2S/c1-5-9-16(8-4)13-15-11(10-19-13)14(6-2,7-3)12(17)18/h10H,5-9H2,1-4H3,(H,17,18)
InChIKeyNPWGJQIPNIFIEO-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.52
Rot. Bonds8

About 2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid

2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid (PubChem CID 112752467) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid
PubChem CID112752467
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid
SMILESCCCN(CC)c1nc(C(CC)(CC)C(=O)O)cs1
InChIInChI=1S/C14H24N2O2S/c1-5-9-16(8-4)13-15-11(10-19-13)14(6-2,7-3)12(17)18/h10H,5-9H2,1-4H3,(H,17,18)
InChIKeyNPWGJQIPNIFIEO-UHFFFAOYSA-N
XLogP3.52
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486149
N,N-dibutyl-4-tert-butyl-1,3-thiazol-2-amine
CID 15277853
2-[ethyl-(4-ethyl-1,3-thiazol-2-yl)amino]ethanol
CID 62960831
2-amino-2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527466
2-[butyl(ethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423388
1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64543631
4-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine
CID 43532078
methyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate
CID 80575671
2-ethyl-2-[2-[(2-methylcyclopropyl)methylamino]-1,3-thiazol-4-yl]butanoic acid
CID 112752487
N-(2-chloroethyl)-N,4-diethyl-1,3-thiazol-2-amine
CID 63392590
2-[[4-[2-[(4-tert-butyl-1,3-thiazol-2-yl)-heptylamino]ethyl]-1,3-thiazol-2-yl]sulfanyl]-2-methylpropanoic acid;hydrochloride
CID 67400978
2-[(4-bromo-1,3-thiazol-2-yl)-propylamino]-N-methylacetamide
CID 79399042

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid?
The IUPAC name of 2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid (CID 112752467) is 2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid is CCCN(CC)c1nc(C(CC)(CC)C(=O)O)cs1.
What is the InChIKey of 2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid?
The InChIKey is NPWGJQIPNIFIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-9-16(8-4)13-15-11(10-19-13)14(6-2,7-3)12(17)18/h10H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid?
2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid has a molecular weight of 284.43 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid is sourced from PubChem (CID 112752467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).