4-(4-methyl-1,3-thiazole-5-carbonyl)thiomorpholine-3-carboxylic acid

C10H12N2O3S2 — CID 82900616

IUPAC4-(4-methyl-1,3-thiazole-5-carbonyl)thiomorpholine-3-carboxylic acid
SMILESCc1ncsc1C(=O)N1CCSCC1C(=O)O
InChIInChI=1S/C10H12N2O3S2/c1-6-8(17-5-11-6)9(13)12-2-3-16-4-7(12)10(14)15/h5,7H,2-4H2,1H3,(H,14,15)
InChIKeyDPWBZIKQKRBAJJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.09
Rot. Bonds2

About 4-(4-methyl-1,3-thiazole-5-carbonyl)thiomorpholine-3-carboxylic acid

4-(4-methyl-1,3-thiazole-5-carbonyl)thiomorpholine-3-carboxylic acid (PubChem CID 82900616) has the molecular formula C10H12N2O3S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(4-methyl-1,3-thiazole-5-carbonyl)thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-methyl-1,3-thiazole-5-carbonyl)thiomorpholine-3-carboxylic acid
PubChem CID82900616
Molecular FormulaC10H12N2O3S2
Molecular Weight272.35 g/mol
Exact Mass272.03
IUPAC Name4-(4-methyl-1,3-thiazole-5-carbonyl)thiomorpholine-3-carboxylic acid
SMILESCc1ncsc1C(=O)N1CCSCC1C(=O)O
InChIInChI=1S/C10H12N2O3S2/c1-6-8(17-5-11-6)9(13)12-2-3-16-4-7(12)10(14)15/h5,7H,2-4H2,1H3,(H,14,15)
InChIKeyDPWBZIKQKRBAJJ-UHFFFAOYSA-N
XLogP1.09
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiomorpholine-3-carboxylic acid
CID 82909197
4-(1,5-dimethylpyrazole-4-carbonyl)thiomorpholine-3-carboxylic acid
CID 78980377
[(2R)-2-methylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 145068291
3-(4-methyl-1,3-thiazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 55236489
4-(2-bromopyridine-3-carbonyl)thiomorpholine-3-carboxylic acid
CID 114037179
4-(2-hydroxy-5-methylbenzoyl)thiomorpholine-3-carboxylic acid
CID 78980529
[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61175131
4-(2,3-dihydro-1,4-dioxine-5-carbonyl)thiomorpholine-3-carboxylic acid
CID 78980282
4-(4-fluoro-3-methylbenzoyl)thiomorpholine-3-carboxylic acid
CID 82901000
4-(2-chlorobenzoyl)thiomorpholine-3-carboxylic acid
CID 78979560
4-(5-ethyl-4-methylthiophene-2-carbonyl)thiomorpholine-3-carboxylic acid
CID 78980348
4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]thiomorpholine-3-carboxylic acid
CID 82900693

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,3-thiazole-5-carbonyl)thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-(4-methyl-1,3-thiazole-5-carbonyl)thiomorpholine-3-carboxylic acid (CID 82900616) is 4-(4-methyl-1,3-thiazole-5-carbonyl)thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-(4-methyl-1,3-thiazole-5-carbonyl)thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-(4-methyl-1,3-thiazole-5-carbonyl)thiomorpholine-3-carboxylic acid is Cc1ncsc1C(=O)N1CCSCC1C(=O)O.
What is the InChIKey of 4-(4-methyl-1,3-thiazole-5-carbonyl)thiomorpholine-3-carboxylic acid?
The InChIKey is DPWBZIKQKRBAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S2/c1-6-8(17-5-11-6)9(13)12-2-3-16-4-7(12)10(14)15/h5,7H,2-4H2,1H3,(H,14,15).
What are the key properties of 4-(4-methyl-1,3-thiazole-5-carbonyl)thiomorpholine-3-carboxylic acid?
4-(4-methyl-1,3-thiazole-5-carbonyl)thiomorpholine-3-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,3-thiazole-5-carbonyl)thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82900616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).