4-ethyl-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid

C13H20N2O3S — CID 62765122

IUPAC4-ethyl-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(N(C)CC2CCCCO2)sc1C(=O)O
InChIInChI=1S/C13H20N2O3S/c1-3-10-11(12(16)17)19-13(14-10)15(2)8-9-6-4-5-7-18-9/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyBYWKQHSTGCPSSJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.41
Rot. Bonds5

About 4-ethyl-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid

4-ethyl-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 62765122) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-ethyl-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID62765122
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-ethyl-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(N(C)CC2CCCCO2)sc1C(=O)O
InChIInChI=1S/C13H20N2O3S/c1-3-10-11(12(16)17)19-13(14-10)15(2)8-9-6-4-5-7-18-9/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyBYWKQHSTGCPSSJ-UHFFFAOYSA-N
XLogP2.41
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopentyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62764075
4-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 79313038
2-[ethyl(oxolan-2-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765974
4-chloro-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80687155
2-[butyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62765441
2-[methyl(oxan-2-ylmethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 55114086
[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]methanol
CID 62753863
6-chloro-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 63380171
4-amino-2-(diethylamino)-N-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116663311
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine
CID 62768551
2-N,5,5-trimethyl-2-N-(oxan-2-ylmethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 62752046
4-(aminomethyl)-5,6-diethyl-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine
CID 80508145

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid (CID 62765122) is 4-ethyl-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid is CCc1nc(N(C)CC2CCCCO2)sc1C(=O)O.
What is the InChIKey of 4-ethyl-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is BYWKQHSTGCPSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-10-11(12(16)17)19-13(14-10)15(2)8-9-6-4-5-7-18-9/h9H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 4-ethyl-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid?
4-ethyl-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 284.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62765122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).