sodium 2-(4-methyl-1,3-thiazol-2-yl)propanoate

C7H8NNaO2S — CID 119031038

IUPACsodium 2-(4-methyl-1,3-thiazol-2-yl)propanoate
SMILESCc1csc(C(C)C(=O)[O-])n1.[Na+]
InChIInChI=1S/C7H9NO2S.Na/c1-4-3-11-6(8-4)5(2)7(9)10;/h3,5H,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyWHSDOQQZAJJYSC-UHFFFAOYSA-M
MW193.20 g/mol
LogP-2.69
Rot. Bonds2

About sodium 2-(4-methyl-1,3-thiazol-2-yl)propanoate

sodium 2-(4-methyl-1,3-thiazol-2-yl)propanoate (PubChem CID 119031038) has the molecular formula C7H8NNaO2S and a molecular weight of 193.20 g/mol. Its IUPAC name is sodium 2-(4-methyl-1,3-thiazol-2-yl)propanoate.

Molecular Properties

Compound Namesodium 2-(4-methyl-1,3-thiazol-2-yl)propanoate
PubChem CID119031038
Molecular FormulaC7H8NNaO2S
Molecular Weight193.20 g/mol
Exact Mass193.02
IUPAC Namesodium 2-(4-methyl-1,3-thiazol-2-yl)propanoate
SMILESCc1csc(C(C)C(=O)[O-])n1.[Na+]
InChIInChI=1S/C7H9NO2S.Na/c1-4-3-11-6(8-4)5(2)7(9)10;/h3,5H,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyWHSDOQQZAJJYSC-UHFFFAOYSA-M
XLogP-2.69
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-2.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 574575
Methyl 2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 7130900
{[(2-Methyl-1,3-thiazol-4-yl)methyl]thio}acetic acid
CID 7131480
1-(4-Methyl-1,3-thiazol-2-yl)propan-2-one
CID 17930988
2-(2-(Propan-2-yl)-1,3-thiazol-4-yl)acetic acid
CID 18758903
Ethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate
CID 43535917
Tert-butyl 2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 45792271
2-(4-Methylthiazol-2-yl)acetic acid
CID 4011301
3-(((2-Methyl-1,3-thiazol-4-yl)methyl)sulfanyl)propanoic acid
CID 13052088
3-(4-Methyl-1,3-thiazol-2-yl)propanoic acid
CID 28950260
Sodium 4-(propan-2-yl)-1,3-thiazole-2-carboxylate
CID 47002354
Sodium 2-(4-tert-butyl-1,3-thiazol-2-yl)acetate
CID 47002611

Frequently Asked Questions

What is the IUPAC name of sodium 2-(4-methyl-1,3-thiazol-2-yl)propanoate?
The IUPAC name of sodium 2-(4-methyl-1,3-thiazol-2-yl)propanoate (CID 119031038) is sodium 2-(4-methyl-1,3-thiazol-2-yl)propanoate.
What is the SMILES notation for sodium 2-(4-methyl-1,3-thiazol-2-yl)propanoate?
The canonical SMILES for sodium 2-(4-methyl-1,3-thiazol-2-yl)propanoate is Cc1csc(C(C)C(=O)[O-])n1.[Na+].
What is the InChIKey of sodium 2-(4-methyl-1,3-thiazol-2-yl)propanoate?
The InChIKey is WHSDOQQZAJJYSC-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9NO2S.Na/c1-4-3-11-6(8-4)5(2)7(9)10;/h3,5H,1-2H3,(H,9,10);/q;+1/p-1.
What are the key properties of sodium 2-(4-methyl-1,3-thiazol-2-yl)propanoate?
sodium 2-(4-methyl-1,3-thiazol-2-yl)propanoate has a molecular weight of 193.20 g/mol, XLogP of -2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(4-methyl-1,3-thiazol-2-yl)propanoate is sourced from PubChem (CID 119031038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).