2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,3-thiazole-4-carboxylic acid

C10H12N2O3S — CID 80732536

IUPAC2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(NC2CC3CCC2O3)n1
InChIInChI=1S/C10H12N2O3S/c13-9(14)7-4-16-10(12-7)11-6-3-5-1-2-8(6)15-5/h4-6,8H,1-3H2,(H,11,12)(H,13,14)
InChIKeyDVLDNHPHUZTFNH-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.57
Rot. Bonds3

About 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,3-thiazole-4-carboxylic acid

2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 80732536) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID80732536
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(NC2CC3CCC2O3)n1
InChIInChI=1S/C10H12N2O3S/c13-9(14)7-4-16-10(12-7)11-6-3-5-1-2-8(6)15-5/h4-6,8H,1-3H2,(H,11,12)(H,13,14)
InChIKeyDVLDNHPHUZTFNH-UHFFFAOYSA-N
XLogP1.57
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80732447
1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)isoquinoline-3-carboxylic acid
CID 80715173
N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-thiadiazol-5-amine
CID 130757974
methyl 4-chloro-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 80602834
2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)quinoline-5-carboxylic acid
CID 80715673
methyl 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-1,3-thiazole-4-carboxylate
CID 113306641
2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569182
2-(2,3-dihydro-1-benzofuran-3-ylamino)-1,3-thiazole-4-carboxylic acid
CID 80568532
2-hydrazinyl-1,3-thiazole-4-carboxylic acid
CID 15074804
5,6-dimethyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyridazine-4-carboxylic acid
CID 80731800
7-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-benzothiazol-2-amine
CID 80719683
2-[(1-methyl-6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568637

Frequently Asked Questions

What is the IUPAC name of 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,3-thiazole-4-carboxylic acid (CID 80732536) is 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(NC2CC3CCC2O3)n1.
What is the InChIKey of 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is DVLDNHPHUZTFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c13-9(14)7-4-16-10(12-7)11-6-3-5-1-2-8(6)15-5/h4-6,8H,1-3H2,(H,11,12)(H,13,14).
What are the key properties of 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,3-thiazole-4-carboxylic acid?
2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 240.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 80732536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).