5-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid

C9H12N2O3S — CID 82737354

IUPAC5-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCC1OCCC1Nc1scnc1C(=O)O
InChIInChI=1S/C9H12N2O3S/c1-5-6(2-3-14-5)11-8-7(9(12)13)10-4-15-8/h4-6,11H,2-3H2,1H3,(H,12,13)
InChIKeyHGRJFQMVYVFTCE-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.43
Rot. Bonds3

About 5-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid

5-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 82737354) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 5-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID82737354
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name5-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCC1OCCC1Nc1scnc1C(=O)O
InChIInChI=1S/C9H12N2O3S/c1-5-6(2-3-14-5)11-8-7(9(12)13)10-4-15-8/h4-6,11H,2-3H2,1H3,(H,12,13)
InChIKeyHGRJFQMVYVFTCE-UHFFFAOYSA-N
XLogP1.43
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methylcyclobutyl)amino]-1,3-thiazole-4-carboxylic acid
CID 130556460
5-[(2-methoxycyclopentyl)amino]-1,3-thiazole-4-carboxylic acid
CID 64630495
5-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-4-carboxylic acid
CID 64629693
5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 106259399
5-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 64631108
3-fluoro-2-[(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid
CID 105382560
5-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 107853950
5-[(2-methylcyclopentyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 107420798
5-[(6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 64629285
methyl 2-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 82736702
4-[(2-methyloxolan-3-yl)amino]quinazoline-7-carboxylic acid
CID 82729142
5-N-(2-methyloxolan-3-yl)-1,3-benzothiazole-4,5-diamine
CID 82726233

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid (CID 82737354) is 5-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid is CC1OCCC1Nc1scnc1C(=O)O.
What is the InChIKey of 5-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is HGRJFQMVYVFTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-5-6(2-3-14-5)11-8-7(9(12)13)10-4-15-8/h4-6,11H,2-3H2,1H3,(H,12,13).
What are the key properties of 5-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
5-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 228.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 82737354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).