(4R)-3-(3-methylsulfanylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C10H18N2O3S2 — CID 104867013

IUPAC(4R)-3-(3-methylsulfanylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCSC(C)CCNC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C10H18N2O3S2/c1-7(16-2)3-4-11-10(15)12-6-17-5-8(12)9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)/t7?,8-/m0/s1
InChIKeyVXRYZIVCWQFGAC-MQWKRIRWSA-N
MW278.40 g/mol
LogP1.30
Rot. Bonds5

About (4R)-3-(3-methylsulfanylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(3-methylsulfanylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 104867013) has the molecular formula C10H18N2O3S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (4R)-3-(3-methylsulfanylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(3-methylsulfanylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID104867013
Molecular FormulaC10H18N2O3S2
Molecular Weight278.40 g/mol
Exact Mass278.08
IUPAC Name(4R)-3-(3-methylsulfanylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCSC(C)CCNC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C10H18N2O3S2/c1-7(16-2)3-4-11-10(15)12-6-17-5-8(12)9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)/t7?,8-/m0/s1
InChIKeyVXRYZIVCWQFGAC-MQWKRIRWSA-N
XLogP1.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-(4-methylpentylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63003765
(4R)-3-(7-methyloctylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107817207
(4R)-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62635329
(4R)-3-(4-methylsulfanylbutan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 104864312
4-(3-methylsulfanylbutylcarbamoyl)morpholine-3-carboxylic acid
CID 113363829
(4R)-3-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 106431555
(4R)-3-(2-cyclopentylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61205759
(4R)-3-[3-(methanesulfonamido)propylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 106340340
(4R)-3-(hex-5-ynylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 106216192
(4R)-3-[4-(dimethylamino)butan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 54968091
3-(cyclobutylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61197228
3-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 103994602

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(3-methylsulfanylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(3-methylsulfanylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 104867013) is (4R)-3-(3-methylsulfanylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(3-methylsulfanylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(3-methylsulfanylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is CSC(C)CCNC(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-(3-methylsulfanylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VXRYZIVCWQFGAC-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H18N2O3S2/c1-7(16-2)3-4-11-10(15)12-6-17-5-8(12)9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)/t7?,8-/m0/s1.
What are the key properties of (4R)-3-(3-methylsulfanylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(3-methylsulfanylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 278.40 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(3-methylsulfanylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 104867013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).