ethyl 4-methyl-2-[[(2S)-oxolan-2-yl]methyl-propanoylamino]-1,3-thiazole-5-carboxylate

C15H22N2O4S — CID 51852810

IUPACethyl 4-methyl-2-[[(2S)-oxolan-2-yl]methyl-propanoylamino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N(C[C@@H]2CCCO2)C(=O)CC)nc1C
InChIInChI=1S/C15H22N2O4S/c1-4-12(18)17(9-11-7-6-8-21-11)15-16-10(3)13(22-15)14(19)20-5-2/h11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyKHKXZRYTZAVOFS-NSHDSACASA-N
MW326.42 g/mol
LogP2.55
Rot. Bonds6

About ethyl 4-methyl-2-[[(2S)-oxolan-2-yl]methyl-propanoylamino]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[[(2S)-oxolan-2-yl]methyl-propanoylamino]-1,3-thiazole-5-carboxylate (PubChem CID 51852810) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[(2S)-oxolan-2-yl]methyl-propanoylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[(2S)-oxolan-2-yl]methyl-propanoylamino]-1,3-thiazole-5-carboxylate
PubChem CID51852810
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Nameethyl 4-methyl-2-[[(2S)-oxolan-2-yl]methyl-propanoylamino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N(C[C@@H]2CCCO2)C(=O)CC)nc1C
InChIInChI=1S/C15H22N2O4S/c1-4-12(18)17(9-11-7-6-8-21-11)15-16-10(3)13(22-15)14(19)20-5-2/h11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyKHKXZRYTZAVOFS-NSHDSACASA-N
XLogP2.55
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-methyl-2-[[(2S)-oxolan-2-yl]methyl-propanoylamino]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

ethyl 4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]-pentylamino]-1,3-thiazole-5-carboxylate
CID 55478680
2-[ethyl(oxolan-2-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765974
ethyl 6-[1,3-benzothiazol-2-yl(oxolan-2-ylmethyl)carbamoyl]-2-methylpyridine-3-carboxylate
CID 55600379
2-[acetyl(oxolan-2-ylmethyl)amino]-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 51043591
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 8720224
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 43989745
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 43990106
2-(3,4-dimethylphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 43989739
2-[acetyl(oxolan-2-ylmethyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 51044802
ethyl 4-methyl-2-[pentan-2-yl(propanoyl)amino]-1,3-thiazole-5-carboxylate
CID 56793531
4-amino-2-(diethylamino)-N-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116663311
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16839097

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[(2S)-oxolan-2-yl]methyl-propanoylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[(2S)-oxolan-2-yl]methyl-propanoylamino]-1,3-thiazole-5-carboxylate (CID 51852810) is ethyl 4-methyl-2-[[(2S)-oxolan-2-yl]methyl-propanoylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[(2S)-oxolan-2-yl]methyl-propanoylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[(2S)-oxolan-2-yl]methyl-propanoylamino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N(C[C@@H]2CCCO2)C(=O)CC)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[[(2S)-oxolan-2-yl]methyl-propanoylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is KHKXZRYTZAVOFS-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-4-12(18)17(9-11-7-6-8-21-11)15-16-10(3)13(22-15)14(19)20-5-2/h11H,4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of ethyl 4-methyl-2-[[(2S)-oxolan-2-yl]methyl-propanoylamino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[[(2S)-oxolan-2-yl]methyl-propanoylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 326.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[(2S)-oxolan-2-yl]methyl-propanoylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 51852810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).