2-[4-(methoxymethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]acetic acid

C12H18N2O4S — CID 82441563

IUPAC2-[4-(methoxymethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]acetic acid
SMILESCOCc1nc(CN2CCOCC2)sc1CC(=O)O
InChIInChI=1S/C12H18N2O4S/c1-17-8-9-10(6-12(15)16)19-11(13-9)7-14-2-4-18-5-3-14/h2-8H2,1H3,(H,15,16)
InChIKeyYXNAUBIQAYHFSQ-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.75
Rot. Bonds6

About 2-[4-(methoxymethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]acetic acid

2-[4-(methoxymethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 82441563) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(methoxymethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID82441563
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-[4-(methoxymethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]acetic acid
SMILESCOCc1nc(CN2CCOCC2)sc1CC(=O)O
InChIInChI=1S/C12H18N2O4S/c1-17-8-9-10(6-12(15)16)19-11(13-9)7-14-2-4-18-5-3-14/h2-8H2,1H3,(H,15,16)
InChIKeyYXNAUBIQAYHFSQ-UHFFFAOYSA-N
XLogP0.75
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]acetic acid
CID 82441955
4-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 82227254
2-[4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid
CID 82440694
2-[2-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid
CID 82435498
2-[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]acetic acid
CID 82441915
3-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]propanoic acid
CID 82441961
2-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]acetic acid
CID 82117421
[4-(methoxymethyl)-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]methanethiol
CID 82441582
(E)-3-[2-(morpholin-4-ylmethyl)-4-propyl-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82433037
[4-(methoxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82441546
N-[[2-(morpholin-4-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82433026
2-[2-(2-methoxyethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82431442

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(methoxymethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]acetic acid (CID 82441563) is 2-[4-(methoxymethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(methoxymethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(methoxymethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]acetic acid is COCc1nc(CN2CCOCC2)sc1CC(=O)O.
What is the InChIKey of 2-[4-(methoxymethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is YXNAUBIQAYHFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-17-8-9-10(6-12(15)16)19-11(13-9)7-14-2-4-18-5-3-14/h2-8H2,1H3,(H,15,16).
What are the key properties of 2-[4-(methoxymethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]acetic acid?
2-[4-(methoxymethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 286.35 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82441563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).