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

C14H15N3O2S — CID 60834515

IUPAC2-[cyclopropyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1csc(-c2ccccn2)n1)C1CC1
InChIInChI=1S/C14H15N3O2S/c18-13(19)8-17(11-4-5-11)7-10-9-20-14(16-10)12-3-1-2-6-15-12/h1-3,6,9,11H,4-5,7-8H2,(H,18,19)
InChIKeyDAEWDORQZKQUQD-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.25
Rot. Bonds6

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

2-[cyclopropyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid (PubChem CID 60834515) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid
PubChem CID60834515
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name2-[cyclopropyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1csc(-c2ccccn2)n1)C1CC1
InChIInChI=1S/C14H15N3O2S/c18-13(19)8-17(11-4-5-11)7-10-9-20-14(16-10)12-3-1-2-6-15-12/h1-3,6,9,11H,4-5,7-8H2,(H,18,19)
InChIKeyDAEWDORQZKQUQD-UHFFFAOYSA-N
XLogP2.25
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopentyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]acetic acid
CID 60833022
2-[cyclopentyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 56813193
N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17449429
4-benzyl-2-pyridin-2-yl-1,3-thiazole
CID 18182490
1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 108784317
2-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 79370396
N-benzyl-N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 39081023
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
N-methyl-N-[(4-phenylphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134054093
N-benzyl-N-propyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134059896
N-methyl-1-piperidin-4-yl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 79702191
2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 176507613

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid (CID 60834515) is 2-[cyclopropyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid is O=C(O)CN(Cc1csc(-c2ccccn2)n1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid?
The InChIKey is DAEWDORQZKQUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c18-13(19)8-17(11-4-5-11)7-10-9-20-14(16-10)12-3-1-2-6-15-12/h1-3,6,9,11H,4-5,7-8H2,(H,18,19).
What are the key properties of 2-[cyclopropyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid?
2-[cyclopropyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid has a molecular weight of 289.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid is sourced from PubChem (CID 60834515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).