[(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate

C17H16N2O5S2 — CID 124729428

IUPAC[(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate
SMILESCc1ccc(-c2nc(C(=O)O[C@@H](C)c3cnc(C4OCCO4)s3)cs2)o1
InChIInChI=1S/C17H16N2O5S2/c1-9-3-4-12(23-9)14-19-11(8-25-14)16(20)24-10(2)13-7-18-15(26-13)17-21-5-6-22-17/h3-4,7-8,10,17H,5-6H2,1-2H3/t10-/m0/s1
InChIKeyGBSFWVGXQZZWQJ-JTQLQIEISA-N
MW392.46 g/mol
LogP4.13
Rot. Bonds5

About [(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate

[(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate (PubChem CID 124729428) has the molecular formula C17H16N2O5S2 and a molecular weight of 392.46 g/mol. Its IUPAC name is [(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate
PubChem CID124729428
Molecular FormulaC17H16N2O5S2
Molecular Weight392.46 g/mol
Exact Mass392.05
IUPAC Name[(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate
SMILESCc1ccc(-c2nc(C(=O)O[C@@H](C)c3cnc(C4OCCO4)s3)cs2)o1
InChIInChI=1S/C17H16N2O5S2/c1-9-3-4-12(23-9)14-19-11(8-25-14)16(20)24-10(2)13-7-18-15(26-13)17-21-5-6-22-17/h3-4,7-8,10,17H,5-6H2,1-2H3/t10-/m0/s1
InChIKeyGBSFWVGXQZZWQJ-JTQLQIEISA-N
XLogP4.13
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

3-methoxybutyl 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate
CID 71869290
N-(1-hydroxypropan-2-yl)-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 109388495
2-[[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetic acid
CID 119198555
2-(5-methylfuran-2-yl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide
CID 39905459
N-[1-(aminomethyl)cyclopentyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119568385
[4-(methylaminomethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119546890
N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119504269
[(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
CID 99778983
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]propan-1-ol
CID 115089095
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 102553557
(3-hydroxypiperidin-1-yl)-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
CID 110889567

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of [(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate (CID 124729428) is [(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for [(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate is Cc1ccc(-c2nc(C(=O)O[C@@H](C)c3cnc(C4OCCO4)s3)cs2)o1.
What is the InChIKey of [(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is GBSFWVGXQZZWQJ-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16N2O5S2/c1-9-3-4-12(23-9)14-19-11(8-25-14)16(20)24-10(2)13-7-18-15(26-13)17-21-5-6-22-17/h3-4,7-8,10,17H,5-6H2,1-2H3/t10-/m0/s1.
What are the key properties of [(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate?
[(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 124729428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).