2-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)triazol-1-yl]acetic acid

C13H14N4O3S — CID 66290010

IUPAC2-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)triazol-1-yl]acetic acid
SMILESCC1c2ccsc2CCN1C(=O)c1cn(CC(=O)O)nn1
InChIInChI=1S/C13H14N4O3S/c1-8-9-3-5-21-11(9)2-4-17(8)13(20)10-6-16(15-14-10)7-12(18)19/h3,5-6,8H,2,4,7H2,1H3,(H,18,19)
InChIKeyUAPFDCLPPRENOX-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.18
Rot. Bonds3

About 2-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)triazol-1-yl]acetic acid

2-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)triazol-1-yl]acetic acid (PubChem CID 66290010) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)triazol-1-yl]acetic acid
PubChem CID66290010
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name2-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)triazol-1-yl]acetic acid
SMILESCC1c2ccsc2CCN1C(=O)c1cn(CC(=O)O)nn1
InChIInChI=1S/C13H14N4O3S/c1-8-9-3-5-21-11(9)2-4-17(8)13(20)10-6-16(15-14-10)7-12(18)19/h3,5-6,8H,2,4,7H2,1H3,(H,18,19)
InChIKeyUAPFDCLPPRENOX-UHFFFAOYSA-N
XLogP1.18
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)triazol-1-yl]acetic acid with MolForge

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;hydrochloride
CID 119694088
3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridazin-6-one
CID 103604024
5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)thiophene-2-carboxylic acid
CID 60722425
2-[4-(2,3-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66289604
(E)-3-(1-benzyltriazol-4-yl)-1-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]prop-2-en-1-one
CID 8950000
[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 6929698
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone
CID 8948806
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 37314651
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 8949501
(3-amino-2-pyridinyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 104741824
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-sulfanylphenyl)methanone
CID 107026703
(4-fluorophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156073

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)triazol-1-yl]acetic acid (CID 66290010) is 2-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)triazol-1-yl]acetic acid is CC1c2ccsc2CCN1C(=O)c1cn(CC(=O)O)nn1.
What is the InChIKey of 2-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)triazol-1-yl]acetic acid?
The InChIKey is UAPFDCLPPRENOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-8-9-3-5-21-11(9)2-4-17(8)13(20)10-6-16(15-14-10)7-12(18)19/h3,5-6,8H,2,4,7H2,1H3,(H,18,19).
What are the key properties of 2-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)triazol-1-yl]acetic acid?
2-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)triazol-1-yl]acetic acid has a molecular weight of 306.35 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)triazol-1-yl]acetic acid is sourced from PubChem (CID 66290010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).