5-(oxan-3-ylmethylamino)-1,3-thiazole-4-carboxylic acid

C10H14N2O3S — CID 64631917

IUPAC5-(oxan-3-ylmethylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NCC1CCCOC1
InChIInChI=1S/C10H14N2O3S/c13-10(14)8-9(16-6-12-8)11-4-7-2-1-3-15-5-7/h6-7,11H,1-5H2,(H,13,14)
InChIKeyOCZHMRHVQPAGGI-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.68
Rot. Bonds4

About 5-(oxan-3-ylmethylamino)-1,3-thiazole-4-carboxylic acid

5-(oxan-3-ylmethylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 64631917) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 5-(oxan-3-ylmethylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(oxan-3-ylmethylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID64631917
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name5-(oxan-3-ylmethylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NCC1CCCOC1
InChIInChI=1S/C10H14N2O3S/c13-10(14)8-9(16-6-12-8)11-4-7-2-1-3-15-5-7/h6-7,11H,1-5H2,(H,13,14)
InChIKeyOCZHMRHVQPAGGI-UHFFFAOYSA-N
XLogP1.68
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(oxan-3-yl)-1,3-thiazole-4-carboxylic acid
CID 106510417
2-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696975
3-(oxan-3-ylmethylamino)pyridazine-4-carboxylic acid
CID 80517608
2-chloro-N-(oxan-3-ylmethyl)-1,3-thiazol-4-amine
CID 130686313
2-fluoro-5-(oxan-3-ylmethylamino)benzoic acid
CID 63741089
5-bromo-2-(oxan-3-ylmethylamino)benzoic acid
CID 114895502
N-(oxan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63831696
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
ethyl 3-methyl-5-(oxan-3-ylmethylamino)-1,2-thiazole-4-carboxylate
CID 79364480
N-[[(3S)-oxan-3-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 129368211
5-(2-aminoethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631692
3-amino-5-(oxan-3-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103378285

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-3-ylmethylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(oxan-3-ylmethylamino)-1,3-thiazole-4-carboxylic acid (CID 64631917) is 5-(oxan-3-ylmethylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(oxan-3-ylmethylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(oxan-3-ylmethylamino)-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1NCC1CCCOC1.
What is the InChIKey of 5-(oxan-3-ylmethylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is OCZHMRHVQPAGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c13-10(14)8-9(16-6-12-8)11-4-7-2-1-3-15-5-7/h6-7,11H,1-5H2,(H,13,14).
What are the key properties of 5-(oxan-3-ylmethylamino)-1,3-thiazole-4-carboxylic acid?
5-(oxan-3-ylmethylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 242.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-3-ylmethylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64631917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).