(4R)-3-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid

C10H13N5O3S2 — CID 61143306

IUPAC(4R)-3-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C10H13N5O3S2/c16-8(14-5-19-3-7(14)9(17)18)4-20-10-11-12-13-15(10)6-1-2-6/h6-7H,1-5H2,(H,17,18)/t7-/m0/s1
InChIKeyHVNSGYFXPHUSEO-ZETCQYMHSA-N
MW315.38 g/mol
LogP0.09
Rot. Bonds5

About (4R)-3-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61143306) has the molecular formula C10H13N5O3S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (4R)-3-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61143306
Molecular FormulaC10H13N5O3S2
Molecular Weight315.38 g/mol
Exact Mass315.05
IUPAC Name(4R)-3-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C10H13N5O3S2/c16-8(14-5-19-3-7(14)9(17)18)4-20-10-11-12-13-15(10)6-1-2-6/h6-7H,1-5H2,(H,17,18)/t7-/m0/s1
InChIKeyHVNSGYFXPHUSEO-ZETCQYMHSA-N
XLogP0.09
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2-(Tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 24710137
(4R)-3-[2-(tetrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 28214219
(4R)-3-[3-(1,2,4-triazol-1-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 28791237
3-[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43172201
3-[3-(1,2,4-Triazol-1-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43211285
2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetic acid
CID 43241521
2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]acetic acid
CID 43242214
2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]propanoic acid
CID 43244973
2-[[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-4-methylsulfanylbutanoic acid
CID 43353448
1-[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid
CID 43355615
3-[2-[(4-Cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359423
Methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetate
CID 43408862

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid (CID 61143306) is (4R)-3-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)CSc1nnnn1C1CC1.
What is the InChIKey of (4R)-3-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HVNSGYFXPHUSEO-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N5O3S2/c16-8(14-5-19-3-7(14)9(17)18)4-20-10-11-12-13-15(10)6-1-2-6/h6-7H,1-5H2,(H,17,18)/t7-/m0/s1.
What are the key properties of (4R)-3-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 315.38 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61143306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).