(4S)-2-[1-(3-hydroxypropyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid

C9H14N4O3S — CID 107774076

IUPAC(4S)-2-[1-(3-hydroxypropyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC(c2cn(CCCO)nn2)N1
InChIInChI=1S/C9H14N4O3S/c14-3-1-2-13-4-6(11-12-13)8-10-7(5-17-8)9(15)16/h4,7-8,10,14H,1-3,5H2,(H,15,16)/t7-,8?/m1/s1
InChIKeyLZBHJVNOSAWLSB-GVHYBUMESA-N
MW258.30 g/mol
LogP-0.55
Rot. Bonds5

About (4S)-2-[1-(3-hydroxypropyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid

(4S)-2-[1-(3-hydroxypropyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 107774076) has the molecular formula C9H14N4O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is (4S)-2-[1-(3-hydroxypropyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-[1-(3-hydroxypropyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID107774076
Molecular FormulaC9H14N4O3S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC Name(4S)-2-[1-(3-hydroxypropyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC(c2cn(CCCO)nn2)N1
InChIInChI=1S/C9H14N4O3S/c14-3-1-2-13-4-6(11-12-13)8-10-7(5-17-8)9(15)16/h4,7-8,10,14H,1-3,5H2,(H,15,16)/t7-,8?/m1/s1
InChIKeyLZBHJVNOSAWLSB-GVHYBUMESA-N
XLogP-0.55
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(2-hydroxyethyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid
CID 80500578
2-[1-(3-hydroxypropyl)triazol-4-yl]-1,3-thiazinane-4-carboxylic acid
CID 80500556
2-(1-methylpyrazol-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 131071428
2-(1-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 126985113
(2R,4S)-2-[4-[(2R,4S)-4-carboxy-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 694997
(2R,4S)-2-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 51673907
(4S)-2-(5-bromo-3-methyltriazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 130586615
(4R)-2-(3-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 66118285
(2R)-2-pyrimidin-5-yl-1,3-thiazolidine-4-carboxylic acid
CID 68805778
4-methyl-2-(1-methyltriazol-4-yl)-1,3-thiazolidine
CID 130599104
1-(5-hydroxypentyl)triazole-4-carboxylic acid
CID 62227732
(4S)-2-(8-hydroxyquinolin-2-yl)-1,3-thiazolidine-4-carboxylic acid
CID 91623324

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[1-(3-hydroxypropyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-[1-(3-hydroxypropyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid (CID 107774076) is (4S)-2-[1-(3-hydroxypropyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-[1-(3-hydroxypropyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-[1-(3-hydroxypropyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@H]1CSC(c2cn(CCCO)nn2)N1.
What is the InChIKey of (4S)-2-[1-(3-hydroxypropyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LZBHJVNOSAWLSB-GVHYBUMESA-N. The full InChI is InChI=1S/C9H14N4O3S/c14-3-1-2-13-4-6(11-12-13)8-10-7(5-17-8)9(15)16/h4,7-8,10,14H,1-3,5H2,(H,15,16)/t7-,8?/m1/s1.
What are the key properties of (4S)-2-[1-(3-hydroxypropyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid?
(4S)-2-[1-(3-hydroxypropyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 258.30 g/mol, XLogP of -0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[1-(3-hydroxypropyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 107774076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).