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

C12H13N3O2S — CID 94275057

IUPAC2-[2-[(pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(CNCc2ccccn2)n1
InChIInChI=1S/C12H13N3O2S/c16-12(17)5-10-8-18-11(15-10)7-13-6-9-3-1-2-4-14-9/h1-4,8,13H,5-7H2,(H,16,17)
InChIKeyXHCYLNCZALWMFQ-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.46
Rot. Bonds6

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

2-[2-[(pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 94275057) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[2-[(pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID94275057
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-[2-[(pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(CNCc2ccccn2)n1
InChIInChI=1S/C12H13N3O2S/c16-12(17)5-10-8-18-11(15-10)7-13-6-9-3-1-2-4-14-9/h1-4,8,13H,5-7H2,(H,16,17)
InChIKeyXHCYLNCZALWMFQ-UHFFFAOYSA-N
XLogP1.46
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetic acid
CID 82131126
2-[2-[(thieno[3,2-b]pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid
CID 167779279
2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid
CID 103235916
2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9148295
2-[2-[[(2,3,4-trimethylphenyl)methylamino]methyl]-1,3-thiazol-4-yl]acetic acid
CID 167847700
2-[2-[[(3-chloro-2-methylphenyl)methylamino]methyl]-1,3-thiazol-4-yl]acetic acid
CID 166249386
CID 131857449
CID 131857449
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 62419199
2-[2-(2-anilinoethyl)-1,3-thiazol-4-yl]acetic acid
CID 94274570
N-tert-butyl-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389545
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine;oxalic acid
CID 17052907
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid (CID 94275057) is 2-[2-[(pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(CNCc2ccccn2)n1.
What is the InChIKey of 2-[2-[(pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is XHCYLNCZALWMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c16-12(17)5-10-8-18-11(15-10)7-13-6-9-3-1-2-4-14-9/h1-4,8,13H,5-7H2,(H,16,17).
What are the key properties of 2-[2-[(pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 263.32 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 94275057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).