2-[1-[2-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid

C13H12N4O2S2 — CID 79273014

IUPAC2-[1-[2-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nc2cnccc2n1CCc1nccs1
InChIInChI=1S/C13H12N4O2S2/c18-12(19)8-21-13-16-9-7-14-3-1-10(9)17(13)5-2-11-15-4-6-20-11/h1,3-4,6-7H,2,5,8H2,(H,18,19)
InChIKeyUITFPJWZZNETCN-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.31
Rot. Bonds6

About 2-[1-[2-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid

2-[1-[2-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid (PubChem CID 79273014) has the molecular formula C13H12N4O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[1-[2-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-[2-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
PubChem CID79273014
Molecular FormulaC13H12N4O2S2
Molecular Weight320.40 g/mol
Exact Mass320.04
IUPAC Name2-[1-[2-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nc2cnccc2n1CCc1nccs1
InChIInChI=1S/C13H12N4O2S2/c18-12(19)8-21-13-16-9-7-14-3-1-10(9)17(13)5-2-11-15-4-6-20-11/h1,3-4,6-7H,2,5,8H2,(H,18,19)
InChIKeyUITFPJWZZNETCN-UHFFFAOYSA-N
XLogP2.31
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(1,3-thiazol-4-yl)-1H-1,3-benzodiazol-1-yl]acetic acid
CID 3000086
4U5Bza9NL4
CID 9813424
2-Ethyl-4-(2-thiazolyl)thieno[3,2-d]pyrimidine
CID 9834769
2-Chloro-4-(2-thiazolyl)thieno[3,2-d]pyrimidine
CID 44449565
2-[[4-(1,3-Thiazol-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethanol
CID 9835359
N,N-dimethyl-4-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-amine
CID 9900245
[(2S)-1-[4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 44449532
[(2R)-1-[4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 44449533
N,N-dimethyl-4-(1-methylimidazol-2-yl)thieno[3,2-d]pyrimidin-2-amine
CID 44449599
N,N-dimethyl-4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-amine
CID 44449635
4-N-butyl-5-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334964
5-(pyridin-2-ylmethyl)-4-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118335005

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-[2-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid (CID 79273014) is 2-[1-[2-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-[2-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-[2-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid is O=C(O)CSc1nc2cnccc2n1CCc1nccs1.
What is the InChIKey of 2-[1-[2-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
The InChIKey is UITFPJWZZNETCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S2/c18-12(19)8-21-13-16-9-7-14-3-1-10(9)17(13)5-2-11-15-4-6-20-11/h1,3-4,6-7H,2,5,8H2,(H,18,19).
What are the key properties of 2-[1-[2-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
2-[1-[2-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid has a molecular weight of 320.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 79273014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).