bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate

C16H20N2O4S2 — CID 10406736

IUPACbis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate
SMILESCc1ncsc1CCOC(=O)CCC(=O)OCCc1scnc1C
InChIInChI=1S/C16H20N2O4S2/c1-11-13(23-9-17-11)5-7-21-15(19)3-4-16(20)22-8-6-14-12(2)18-10-24-14/h9-10H,3-8H2,1-2H3
InChIKeyKHNUCKBFEXTLGU-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.87
Rot. Bonds9

About bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate

bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate (PubChem CID 10406736) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate.

Molecular Properties

Compound Namebis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate
PubChem CID10406736
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Namebis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate
SMILESCc1ncsc1CCOC(=O)CCC(=O)OCCc1scnc1C
InChIInChI=1S/C16H20N2O4S2/c1-11-13(23-9-17-11)5-7-21-15(19)3-4-16(20)22-8-6-14-12(2)18-10-24-14/h9-10H,3-8H2,1-2H3
InChIKeyKHNUCKBFEXTLGU-UHFFFAOYSA-N
XLogP2.87
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

triethyl-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-oxoethyl]azanium bromide
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O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
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2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-ethoxypropanoate
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2-(4-methyl-1,3-thiazol-5-yl)ethyl N-cyclohexylcarbamate
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methyl 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanoate
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2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoic acid
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bis[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-oxoazanium
CID 66636338
2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-methylpyridine-3-carboxylate
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2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-(methylsulfanylmethyl)benzoate
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methyl 2-bromo-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoate
CID 81091489
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CID 11474127

Frequently Asked Questions

What is the IUPAC name of bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate?
The IUPAC name of bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate (CID 10406736) is bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate.
What is the SMILES notation for bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate?
The canonical SMILES for bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate is Cc1ncsc1CCOC(=O)CCC(=O)OCCc1scnc1C.
What is the InChIKey of bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate?
The InChIKey is KHNUCKBFEXTLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-11-13(23-9-17-11)5-7-21-15(19)3-4-16(20)22-8-6-14-12(2)18-10-24-14/h9-10H,3-8H2,1-2H3.
What are the key properties of bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate?
bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate has a molecular weight of 368.48 g/mol, XLogP of 2.87, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate is sourced from PubChem (CID 10406736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).