3-methoxybutyl 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate

C14H17NO4S — CID 71869290

IUPAC3-methoxybutyl 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(C)CCOC(=O)c1csc(-c2ccc(C)o2)n1
InChIInChI=1S/C14H17NO4S/c1-9(17-3)6-7-18-14(16)11-8-20-13(15-11)12-5-4-10(2)19-12/h4-5,8-9H,6-7H2,1-3H3
InChIKeyAXCZFPVYOPZMAP-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.29
Rot. Bonds6

About 3-methoxybutyl 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate

3-methoxybutyl 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate (PubChem CID 71869290) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-methoxybutyl 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name3-methoxybutyl 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate
PubChem CID71869290
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name3-methoxybutyl 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(C)CCOC(=O)c1csc(-c2ccc(C)o2)n1
InChIInChI=1S/C14H17NO4S/c1-9(17-3)6-7-18-14(16)11-8-20-13(15-11)12-5-4-10(2)19-12/h4-5,8-9H,6-7H2,1-3H3
InChIKeyAXCZFPVYOPZMAP-UHFFFAOYSA-N
XLogP3.29
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carboxylate
CID 115280369
2-(5-methylfuran-2-yl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide
CID 39905459
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
N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119504269
N-benzyl-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 38416150
N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119434138
2-[ethyl-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 119206330
N-(2-amino-2-ethylbutyl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119643826
[(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
CID 99778983
N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119434137
[(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

Frequently Asked Questions

What is the IUPAC name of 3-methoxybutyl 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of 3-methoxybutyl 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate (CID 71869290) is 3-methoxybutyl 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 3-methoxybutyl 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for 3-methoxybutyl 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate is COC(C)CCOC(=O)c1csc(-c2ccc(C)o2)n1.
What is the InChIKey of 3-methoxybutyl 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is AXCZFPVYOPZMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-9(17-3)6-7-18-14(16)11-8-20-13(15-11)12-5-4-10(2)19-12/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 3-methoxybutyl 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate?
3-methoxybutyl 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 295.36 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxybutyl 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 71869290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).