2-[[3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclobutyl]-ethylamino]acetic acid

C16H28N4O2S — CID 122042243

IUPAC2-[[3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC)c1ncc(CNC2CC(N(CC)CC(=O)O)C2)s1
InChIInChI=1S/C16H28N4O2S/c1-4-19(5-2)16-18-10-14(23-16)9-17-12-7-13(8-12)20(6-3)11-15(21)22/h10,12-13,17H,4-9,11H2,1-3H3,(H,21,22)
InChIKeyRRTAAXAQYZHSCO-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.02
Rot. Bonds10

About 2-[[3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122042243) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-[[3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122042243
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC Name2-[[3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC)c1ncc(CNC2CC(N(CC)CC(=O)O)C2)s1
InChIInChI=1S/C16H28N4O2S/c1-4-19(5-2)16-18-10-14(23-16)9-17-12-7-13(8-12)20(6-3)11-15(21)22/h10,12-13,17H,4-9,11H2,1-3H3,(H,21,22)
InChIKeyRRTAAXAQYZHSCO-UHFFFAOYSA-N
XLogP2.02
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclobutyl]-ethylamino]acetic acid with MolForge

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Related Compounds

2-[ethyl-[3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]cyclobutyl]amino]acetic acid
CID 122042374
2-[[3-[(5-bromo-1,3-thiazol-2-yl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042657
2-[[3-[(5-bromothiophen-2-yl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042225
N,N-diethyl-5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine
CID 43778486
2-[[3-[(5-tert-butyl-1,3-thiazol-2-yl)methylamino]cyclobutyl]-ethylamino]acetic acid;2,2,2-trifluoroacetic acid
CID 167885427
2-[ethyl-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]cyclobutyl]amino]acetic acid
CID 122042240
2-[[3-[(4-cyanothiophen-2-yl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122041998
2-[ethyl-[3-[[6-[ethyl(methyl)amino]-3-pyridinyl]methylamino]cyclobutyl]amino]acetic acid
CID 122042424
N,N-diethyl-5-[(thiolan-3-ylamino)methyl]-1,3-thiazol-2-amine
CID 103701514
N,N-diethyl-5-[[(2-methyloxan-4-yl)amino]methyl]-1,3-thiazol-2-amine
CID 103887950
2-[[3-[(4-chlorophenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042459
N,N-diethyl-5-[[(4-propylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine
CID 63454816

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclobutyl]-ethylamino]acetic acid (CID 122042243) is 2-[[3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclobutyl]-ethylamino]acetic acid is CCN(CC)c1ncc(CNC2CC(N(CC)CC(=O)O)C2)s1.
What is the InChIKey of 2-[[3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is RRTAAXAQYZHSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-4-19(5-2)16-18-10-14(23-16)9-17-12-7-13(8-12)20(6-3)11-15(21)22/h10,12-13,17H,4-9,11H2,1-3H3,(H,21,22).
What are the key properties of 2-[[3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 340.49 g/mol, XLogP of 2.02, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122042243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).