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

C14H13N3O2S2 — CID 167779279

IUPAC2-[2-[(thieno[3,2-b]pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(CNCc2cc3ncccc3s2)n1
InChIInChI=1S/C14H13N3O2S2/c18-14(19)4-9-8-20-13(17-9)7-15-6-10-5-11-12(21-10)2-1-3-16-11/h1-3,5,8,15H,4,6-7H2,(H,18,19)
InChIKeyOZEPIKQEVQFOPL-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.67
Rot. Bonds6

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

2-[2-[(thieno[3,2-b]pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 167779279) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[2-[(thieno[3,2-b]pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(thieno[3,2-b]pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID167779279
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name2-[2-[(thieno[3,2-b]pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(CNCc2cc3ncccc3s2)n1
InChIInChI=1S/C14H13N3O2S2/c18-14(19)4-9-8-20-13(17-9)7-15-6-10-5-11-12(21-10)2-1-3-16-11/h1-3,5,8,15H,4,6-7H2,(H,18,19)
InChIKeyOZEPIKQEVQFOPL-UHFFFAOYSA-N
XLogP2.67
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid
CID 94275057
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
2-[2-(quinolin-6-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 80576847
2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetic acid
CID 82131126
2-[2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9153801
2-[2-(2-thiophen-2-ylethyl)-1,3-thiazol-4-yl]acetic acid
CID 82088222
2-[2-[(3-cyanoanilino)methyl]-1,3-thiazol-4-yl]acetic acid
CID 82124046
2-[2-(2-methylprop-2-enyl)-1,3-thiazol-4-yl]acetic acid
CID 82054960
2-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]acetic acid
CID 63892978
2-[2-(2-anilinoethyl)-1,3-thiazol-4-yl]acetic acid
CID 94274570

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(thieno[3,2-b]pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(thieno[3,2-b]pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid (CID 167779279) is 2-[2-[(thieno[3,2-b]pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(thieno[3,2-b]pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(thieno[3,2-b]pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(CNCc2cc3ncccc3s2)n1.
What is the InChIKey of 2-[2-[(thieno[3,2-b]pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is OZEPIKQEVQFOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c18-14(19)4-9-8-20-13(17-9)7-15-6-10-5-11-12(21-10)2-1-3-16-11/h1-3,5,8,15H,4,6-7H2,(H,18,19).
What are the key properties of 2-[2-[(thieno[3,2-b]pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(thieno[3,2-b]pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 319.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(thieno[3,2-b]pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 167779279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).