2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid

C11H16N2O5S — CID 116696799

IUPAC2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCOCCN(CCOC)C(=O)c1nc(C(=O)O)cs1
InChIInChI=1S/C11H16N2O5S/c1-17-5-3-13(4-6-18-2)10(14)9-12-8(7-19-9)11(15)16/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyPTYGIVDEVZOXFL-UHFFFAOYSA-N
MW288.32 g/mol
LogP0.58
Rot. Bonds8

About 2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid

2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 116696799) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID116696799
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCOCCN(CCOC)C(=O)c1nc(C(=O)O)cs1
InChIInChI=1S/C11H16N2O5S/c1-17-5-3-13(4-6-18-2)10(14)9-12-8(7-19-9)11(15)16/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyPTYGIVDEVZOXFL-UHFFFAOYSA-N
XLogP0.58
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697449
2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696934
2-[[bis(2-methoxyethyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380743
2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696912
2-[bis(cyclopropylmethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697177
2-[2-methoxyethyl(3-methoxypropyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568985
2-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696904
2-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696918
4-[bis(2-methoxyethyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730064
2-benzamido-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 16914887
2-(1-methoxybutan-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697189
2-[2-methoxyethyl-(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 119189301

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid (CID 116696799) is 2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid is COCCN(CCOC)C(=O)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is PTYGIVDEVZOXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-17-5-3-13(4-6-18-2)10(14)9-12-8(7-19-9)11(15)16/h7H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 288.32 g/mol, XLogP of 0.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116696799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).