2-[(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)sulfanyl]acetic acid

C14H14N2O2S2 — CID 106821034

IUPAC2-[(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)sulfanyl]acetic acid
SMILESO=C(O)CSc1nc2c(s1)CN(c1ccccc1)CC2
InChIInChI=1S/C14H14N2O2S2/c17-13(18)9-19-14-15-11-6-7-16(8-12(11)20-14)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,17,18)
InChIKeyDHRGIBIPNLXSIY-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.88
Rot. Bonds4

About 2-[(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)sulfanyl]acetic acid

2-[(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)sulfanyl]acetic acid (PubChem CID 106821034) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)sulfanyl]acetic acid
PubChem CID106821034
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC Name2-[(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)sulfanyl]acetic acid
SMILESO=C(O)CSc1nc2c(s1)CN(c1ccccc1)CC2
InChIInChI=1S/C14H14N2O2S2/c17-13(18)9-19-14-15-11-6-7-16(8-12(11)20-14)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,17,18)
InChIKeyDHRGIBIPNLXSIY-UHFFFAOYSA-N
XLogP2.88
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)sulfanyl]acetic acid with MolForge

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Related Compounds

N-methyl-2-(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propan-1-amine
CID 106820673
2-(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine
CID 106820672
calcium 2-(1,3-benzothiazol-2-ylsulfanyl)acetic acid
CID 54604872
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 1284776
2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetic acid
CID 54440885
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90530710
1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-phenylethanone
CID 59128876
3-(1-methoxypropan-2-yloxy)-5-(4-methylsulfanylphenoxy)-N-(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 145120695
2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid
CID 82098344
5-ethyl-2-[(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methylsulfanyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 123501713
5-bromo-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 87111668
N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528497

Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)sulfanyl]acetic acid?
The IUPAC name of 2-[(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)sulfanyl]acetic acid (CID 106821034) is 2-[(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)sulfanyl]acetic acid is O=C(O)CSc1nc2c(s1)CN(c1ccccc1)CC2.
What is the InChIKey of 2-[(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)sulfanyl]acetic acid?
The InChIKey is DHRGIBIPNLXSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c17-13(18)9-19-14-15-11-6-7-16(8-12(11)20-14)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,17,18).
What are the key properties of 2-[(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)sulfanyl]acetic acid?
2-[(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)sulfanyl]acetic acid has a molecular weight of 306.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)sulfanyl]acetic acid is sourced from PubChem (CID 106821034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).