2-[cyclopentyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]acetic acid

C15H18N2O3S — CID 60833022

IUPAC2-[cyclopentyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1csc(-c2ccco2)n1)C1CCCC1
InChIInChI=1S/C15H18N2O3S/c18-14(19)9-17(12-4-1-2-5-12)8-11-10-21-15(16-11)13-6-3-7-20-13/h3,6-7,10,12H,1-2,4-5,8-9H2,(H,18,19)
InChIKeyYIZQOUMONZPKQD-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.23
Rot. Bonds6

About 2-[cyclopentyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]acetic acid

2-[cyclopentyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]acetic acid (PubChem CID 60833022) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[cyclopentyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]acetic acid
PubChem CID60833022
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-[cyclopentyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1csc(-c2ccco2)n1)C1CCCC1
InChIInChI=1S/C15H18N2O3S/c18-14(19)9-17(12-4-1-2-5-12)8-11-10-21-15(16-11)13-6-3-7-20-13/h3,6-7,10,12H,1-2,4-5,8-9H2,(H,18,19)
InChIKeyYIZQOUMONZPKQD-UHFFFAOYSA-N
XLogP3.23
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclobutyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol
CID 102676857
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
2-[cyclopentyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 56813193
2-[cyclopropyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid
CID 60834515
2-[(1,1-dioxothiolan-3-yl)-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol
CID 111113168
N-cyclobutyl-2-(furan-2-yl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 102684223
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide
CID 86917359
N-cyclopropyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 43577125
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 134033866
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43442132
(2S,3aS,7aR)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125138140
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 51952592

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]acetic acid (CID 60833022) is 2-[cyclopentyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]acetic acid is O=C(O)CN(Cc1csc(-c2ccco2)n1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]acetic acid?
The InChIKey is YIZQOUMONZPKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c18-14(19)9-17(12-4-1-2-5-12)8-11-10-21-15(16-11)13-6-3-7-20-13/h3,6-7,10,12H,1-2,4-5,8-9H2,(H,18,19).
What are the key properties of 2-[cyclopentyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]acetic acid?
2-[cyclopentyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]acetic acid has a molecular weight of 306.39 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]acetic acid is sourced from PubChem (CID 60833022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).