2-[(E)-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylic acid

C14H9N3O2S2 — CID 167875600

IUPAC2-[(E)-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(/C=C/c2cnc(-c3cccnc3)s2)s1
InChIInChI=1S/C14H9N3O2S2/c18-14(19)11-8-16-12(21-11)4-3-10-7-17-13(20-10)9-2-1-5-15-6-9/h1-8H,(H,18,19)/b4-3+
InChIKeyJZAUSJHYZCMVRR-ONEGZZNKSA-N
MW315.38 g/mol
LogP3.53
Rot. Bonds4

About 2-[(E)-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylic acid

2-[(E)-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 167875600) has the molecular formula C14H9N3O2S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[(E)-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(E)-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylic acid
PubChem CID167875600
Molecular FormulaC14H9N3O2S2
Molecular Weight315.38 g/mol
Exact Mass315.01
IUPAC Name2-[(E)-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(/C=C/c2cnc(-c3cccnc3)s2)s1
InChIInChI=1S/C14H9N3O2S2/c18-14(19)11-8-16-12(21-11)4-3-10-7-17-13(20-10)9-2-1-5-15-6-9/h1-8H,(H,18,19)/b4-3+
InChIKeyJZAUSJHYZCMVRR-ONEGZZNKSA-N
XLogP3.53
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(E)-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylic acid with MolForge

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Related Compounds

(E)-1-(3-methylfuran-2-yl)-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-en-1-one
CID 166228636
N-methyl-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxamide
CID 75535793
3-(2-phenyl-1,3-thiazol-5-yl)prop-2-enoic acid
CID 69008565
2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82286214
4-[(E)-3-(2-pyridin-4-yl-1,3-thiazol-5-yl)prop-2-enoyl]thiophene-2-carboxylic acid
CID 86813330
2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80570815
2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 58236218
2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetaldehyde
CID 115091325
2-pyridin-3-yl-1,3-thiazole-5-carboximidamide
CID 82422642
5-chloro-2-pyridin-3-yl-1,3-thiazole
CID 117259093
(2S)-3-phenyl-2-[(2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 167982530
N-ethyl-N-methoxy-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 58236291

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(E)-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylic acid (CID 167875600) is 2-[(E)-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(E)-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(E)-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(/C=C/c2cnc(-c3cccnc3)s2)s1.
What is the InChIKey of 2-[(E)-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is JZAUSJHYZCMVRR-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H9N3O2S2/c18-14(19)11-8-16-12(21-11)4-3-10-7-17-13(20-10)9-2-1-5-15-6-9/h1-8H,(H,18,19)/b4-3+.
What are the key properties of 2-[(E)-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylic acid?
2-[(E)-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 315.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 167875600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).