2-cyclopropyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C14H18N2O3S2 — CID 63780361

IUPAC2-cyclopropyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(NC(=O)N1C(C(=O)O)CSC1C1CC1)c1cccs1
InChIInChI=1S/C14H18N2O3S2/c1-8(11-3-2-6-20-11)15-14(19)16-10(13(17)18)7-21-12(16)9-4-5-9/h2-3,6,8-10,12H,4-5,7H2,1H3,(H,15,19)(H,17,18)
InChIKeyVNMRRTFXKULQNT-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.76
Rot. Bonds4

About 2-cyclopropyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

2-cyclopropyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780361) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-cyclopropyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780361
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC Name2-cyclopropyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(NC(=O)N1C(C(=O)O)CSC1C1CC1)c1cccs1
InChIInChI=1S/C14H18N2O3S2/c1-8(11-3-2-6-20-11)15-14(19)16-10(13(17)18)7-21-12(16)9-4-5-9/h2-3,6,8-10,12H,4-5,7H2,1H3,(H,15,19)(H,17,18)
InChIKeyVNMRRTFXKULQNT-UHFFFAOYSA-N
XLogP2.76
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780542
2-cyclopropyl-3-(2-methylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792054
2-cyclopropyl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63779480
2-cyclopropyl-3-(pentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791706
2-cyclopropyl-3-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63779877
2-cyclopropyl-3-(3-thiophen-2-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781077
2-cyclopropyl-3-(hexan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780480
4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 115583183
2-ethyl-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781307
cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091689
2-cyclopropyl-3-(1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 103116827
3-(2-amino-2-thiophen-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 113279259

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 63780361) is 2-cyclopropyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is CC(NC(=O)N1C(C(=O)O)CSC1C1CC1)c1cccs1.
What is the InChIKey of 2-cyclopropyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VNMRRTFXKULQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-8(11-3-2-6-20-11)15-14(19)16-10(13(17)18)7-21-12(16)9-4-5-9/h2-3,6,8-10,12H,4-5,7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-cyclopropyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 326.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).