ethyl 1,3-thiazole-5-carboxylate;5-(2-methoxypropan-2-yl)-1,3-thiazole;5-(2-methoxypropan-2-yl)-1,3-thiazole-2-sulfonamide;2-(1,3-thiazol-5-yl)propan-2-ol

C26H39N5O7S5 — CID 167579789

IUPACethyl 1,3-thiazole-5-carboxylate;5-(2-methoxypropan-2-yl)-1,3-thiazole;5-(2-methoxypropan-2-yl)-1,3-thiazole-2-sulfonamide;2-(1,3-thiazol-5-yl)propan-2-ol
SMILESCC(C)(O)c1cncs1.CCOC(=O)c1cncs1.COC(C)(C)c1cnc(S(N)(=O)=O)s1.COC(C)(C)c1cncs1
InChIInChI=1S/C7H12N2O3S2.C7H11NOS.C6H7NO2S.C6H9NOS/c1-7(2,12-3)5-4-9-6(13-5)14(8,10)11;1-7(2,9-3)6-4-8-5-10-6;1-2-9-6(8)5-3-7-4-10-5;1-6(2,8)5-3-7-4-9-5/h4H,1-3H3,(H2,8,10,11);4-5H,1-3H3;3-4H,2H2,1H3;3-4,8H,1-2H3
InChIKeyHAHZTBADGBCGPG-UHFFFAOYSA-N
MW693.96 g/mol
LogP5.39
Rot. Bonds8

About ethyl 1,3-thiazole-5-carboxylate;5-(2-methoxypropan-2-yl)-1,3-thiazole;5-(2-methoxypropan-2-yl)-1,3-thiazole-2-sulfonamide;2-(1,3-thiazol-5-yl)propan-2-ol

ethyl 1,3-thiazole-5-carboxylate;5-(2-methoxypropan-2-yl)-1,3-thiazole;5-(2-methoxypropan-2-yl)-1,3-thiazole-2-sulfonamide;2-(1,3-thiazol-5-yl)propan-2-ol (PubChem CID 167579789) has the molecular formula C26H39N5O7S5 and a molecular weight of 693.96 g/mol. Its IUPAC name is ethyl 1,3-thiazole-5-carboxylate;5-(2-methoxypropan-2-yl)-1,3-thiazole;5-(2-methoxypropan-2-yl)-1,3-thiazole-2-sulfonamide;2-(1,3-thiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Nameethyl 1,3-thiazole-5-carboxylate;5-(2-methoxypropan-2-yl)-1,3-thiazole;5-(2-methoxypropan-2-yl)-1,3-thiazole-2-sulfonamide;2-(1,3-thiazol-5-yl)propan-2-ol
PubChem CID167579789
Molecular FormulaC26H39N5O7S5
Molecular Weight693.96 g/mol
Exact Mass693.15
IUPAC Nameethyl 1,3-thiazole-5-carboxylate;5-(2-methoxypropan-2-yl)-1,3-thiazole;5-(2-methoxypropan-2-yl)-1,3-thiazole-2-sulfonamide;2-(1,3-thiazol-5-yl)propan-2-ol
SMILESCC(C)(O)c1cncs1.CCOC(=O)c1cncs1.COC(C)(C)c1cnc(S(N)(=O)=O)s1.COC(C)(C)c1cncs1
InChIInChI=1S/C7H12N2O3S2.C7H11NOS.C6H7NO2S.C6H9NOS/c1-7(2,12-3)5-4-9-6(13-5)14(8,10)11;1-7(2,9-3)6-4-8-5-10-6;1-2-9-6(8)5-3-7-4-10-5;1-6(2,8)5-3-7-4-9-5/h4H,1-3H3,(H2,8,10,11);4-5H,1-3H3;3-4H,2H2,1H3;3-4,8H,1-2H3
InChIKeyHAHZTBADGBCGPG-UHFFFAOYSA-N
XLogP5.39
TPSA176.71 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500693.96
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze ethyl 1,3-thiazole-5-carboxylate;5-(2-methoxypropan-2-yl)-1,3-thiazole;5-(2-methoxypropan-2-yl)-1,3-thiazole-2-sulfonamide;2-(1,3-thiazol-5-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1,3-thiazole-5-carboxylate;5-(2-methoxypropan-2-yl)-1,3-thiazole;5-(2-methoxypropan-2-yl)-1,3-thiazole-2-sulfonamide;2-(1,3-thiazol-5-yl)propan-2-ol?
The IUPAC name of ethyl 1,3-thiazole-5-carboxylate;5-(2-methoxypropan-2-yl)-1,3-thiazole;5-(2-methoxypropan-2-yl)-1,3-thiazole-2-sulfonamide;2-(1,3-thiazol-5-yl)propan-2-ol (CID 167579789) is ethyl 1,3-thiazole-5-carboxylate;5-(2-methoxypropan-2-yl)-1,3-thiazole;5-(2-methoxypropan-2-yl)-1,3-thiazole-2-sulfonamide;2-(1,3-thiazol-5-yl)propan-2-ol.
What is the SMILES notation for ethyl 1,3-thiazole-5-carboxylate;5-(2-methoxypropan-2-yl)-1,3-thiazole;5-(2-methoxypropan-2-yl)-1,3-thiazole-2-sulfonamide;2-(1,3-thiazol-5-yl)propan-2-ol?
The canonical SMILES for ethyl 1,3-thiazole-5-carboxylate;5-(2-methoxypropan-2-yl)-1,3-thiazole;5-(2-methoxypropan-2-yl)-1,3-thiazole-2-sulfonamide;2-(1,3-thiazol-5-yl)propan-2-ol is CC(C)(O)c1cncs1.CCOC(=O)c1cncs1.COC(C)(C)c1cnc(S(N)(=O)=O)s1.COC(C)(C)c1cncs1.
What is the InChIKey of ethyl 1,3-thiazole-5-carboxylate;5-(2-methoxypropan-2-yl)-1,3-thiazole;5-(2-methoxypropan-2-yl)-1,3-thiazole-2-sulfonamide;2-(1,3-thiazol-5-yl)propan-2-ol?
The InChIKey is HAHZTBADGBCGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S2.C7H11NOS.C6H7NO2S.C6H9NOS/c1-7(2,12-3)5-4-9-6(13-5)14(8,10)11;1-7(2,9-3)6-4-8-5-10-6;1-2-9-6(8)5-3-7-4-10-5;1-6(2,8)5-3-7-4-9-5/h4H,1-3H3,(H2,8,10,11);4-5H,1-3H3;3-4H,2H2,1H3;3-4,8H,1-2H3.
What are the key properties of ethyl 1,3-thiazole-5-carboxylate;5-(2-methoxypropan-2-yl)-1,3-thiazole;5-(2-methoxypropan-2-yl)-1,3-thiazole-2-sulfonamide;2-(1,3-thiazol-5-yl)propan-2-ol?
ethyl 1,3-thiazole-5-carboxylate;5-(2-methoxypropan-2-yl)-1,3-thiazole;5-(2-methoxypropan-2-yl)-1,3-thiazole-2-sulfonamide;2-(1,3-thiazol-5-yl)propan-2-ol has a molecular weight of 693.96 g/mol, XLogP of 5.39, 8 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-thiazole-5-carboxylate;5-(2-methoxypropan-2-yl)-1,3-thiazole;5-(2-methoxypropan-2-yl)-1,3-thiazole-2-sulfonamide;2-(1,3-thiazol-5-yl)propan-2-ol is sourced from PubChem (CID 167579789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).