3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

C11H15N3O3S2 — CID 103994759

IUPAC3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1nc(CCNC(=O)N2CSCC2C(=O)O)cs1
InChIInChI=1S/C11H15N3O3S2/c1-7-13-8(4-19-7)2-3-12-11(17)14-6-18-5-9(14)10(15)16/h4,9H,2-3,5-6H2,1H3,(H,12,17)(H,15,16)
InChIKeyYYFIZPOHAWTXPN-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.16
Rot. Bonds4

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

3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 103994759) has the molecular formula C11H15N3O3S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID103994759
Molecular FormulaC11H15N3O3S2
Molecular Weight301.39 g/mol
Exact Mass301.06
IUPAC Name3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1nc(CCNC(=O)N2CSCC2C(=O)O)cs1
InChIInChI=1S/C11H15N3O3S2/c1-7-13-8(4-19-7)2-3-12-11(17)14-6-18-5-9(14)10(15)16/h4,9H,2-3,5-6H2,1H3,(H,12,17)(H,15,16)
InChIKeyYYFIZPOHAWTXPN-UHFFFAOYSA-N
XLogP1.16
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 106038391
(4S)-3-(cyclopentanecarbonyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 97221660
(3R)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide
CID 94052563
(4S)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 50831331
(4R)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63330040
(4R)-3-[2-(3-methylphenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62315406
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106041455
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 103790265
4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]thiomorpholine-3-carboxylic acid
CID 82900693
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
(4R)-3-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61203852
(4S)-3-(cyclopentanecarbonyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 95279006

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 103994759) is 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is Cc1nc(CCNC(=O)N2CSCC2C(=O)O)cs1.
What is the InChIKey of 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is YYFIZPOHAWTXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S2/c1-7-13-8(4-19-7)2-3-12-11(17)14-6-18-5-9(14)10(15)16/h4,9H,2-3,5-6H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 301.39 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 103994759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).