4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]thiomorpholine-3-carboxylic acid

C11H14N2O3S2 — CID 82900693

IUPAC4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]thiomorpholine-3-carboxylic acid
SMILESCc1nc(CC(=O)N2CCSCC2C(=O)O)cs1
InChIInChI=1S/C11H14N2O3S2/c1-7-12-8(5-18-7)4-10(14)13-2-3-17-6-9(13)11(15)16/h5,9H,2-4,6H2,1H3,(H,15,16)
InChIKeyNSZPCJIGOXOVRV-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.02
Rot. Bonds3

About 4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]thiomorpholine-3-carboxylic acid

4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]thiomorpholine-3-carboxylic acid (PubChem CID 82900693) has the molecular formula C11H14N2O3S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]thiomorpholine-3-carboxylic acid
PubChem CID82900693
Molecular FormulaC11H14N2O3S2
Molecular Weight286.38 g/mol
Exact Mass286.04
IUPAC Name4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]thiomorpholine-3-carboxylic acid
SMILESCc1nc(CC(=O)N2CCSCC2C(=O)O)cs1
InChIInChI=1S/C11H14N2O3S2/c1-7-12-8(5-18-7)4-10(14)13-2-3-17-6-9(13)11(15)16/h5,9H,2-4,6H2,1H3,(H,15,16)
InChIKeyNSZPCJIGOXOVRV-UHFFFAOYSA-N
XLogP1.02
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 43355974
4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]thiomorpholine-3-carboxylic acid
CID 82902825
4-[2-(4-methoxyphenyl)acetyl]thiomorpholine-3-carboxylic acid
CID 78979641
methyl (2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate
CID 79833335
3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 103994759
4-(2-thiophen-3-ylacetyl)thiomorpholine-3-carboxylic acid
CID 78979377
N-cyclopropyl-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide
CID 47164618
ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate
CID 78915899
4-(3-aminobutanoyl)thiomorpholine-3-carboxylic acid
CID 82904428
(2S)-1-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]pyrrolidine-2-carboxylic acid
CID 61136706
4-[3-(2-methylphenyl)propanoyl]thiomorpholine-3-carboxylic acid
CID 82901281
4-(2-pyridin-3-ylacetyl)thiomorpholine-3-carboxylic acid
CID 82900776

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]thiomorpholine-3-carboxylic acid (CID 82900693) is 4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]thiomorpholine-3-carboxylic acid is Cc1nc(CC(=O)N2CCSCC2C(=O)O)cs1.
What is the InChIKey of 4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]thiomorpholine-3-carboxylic acid?
The InChIKey is NSZPCJIGOXOVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S2/c1-7-12-8(5-18-7)4-10(14)13-2-3-17-6-9(13)11(15)16/h5,9H,2-4,6H2,1H3,(H,15,16).
What are the key properties of 4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]thiomorpholine-3-carboxylic acid?
4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]thiomorpholine-3-carboxylic acid has a molecular weight of 286.38 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82900693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).