2-[[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-4-carboxylic acid

C15H19N5O2S — CID 138004066

IUPAC2-[[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CN2CCC[C@H]2Cn2cc(C3CC3)nn2)n1
InChIInChI=1S/C15H19N5O2S/c21-15(22)13-9-23-14(16-13)8-19-5-1-2-11(19)6-20-7-12(17-18-20)10-3-4-10/h7,9-11H,1-6,8H2,(H,21,22)/t11-/m0/s1
InChIKeyKWTKVGCYYBSPLV-NSHDSACASA-N
MW333.42 g/mol
LogP1.97
Rot. Bonds6

About 2-[[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-4-carboxylic acid

2-[[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 138004066) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-[[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID138004066
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name2-[[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CN2CCC[C@H]2Cn2cc(C3CC3)nn2)n1
InChIInChI=1S/C15H19N5O2S/c21-15(22)13-9-23-14(16-13)8-19-5-1-2-11(19)6-20-7-12(17-18-20)10-3-4-10/h7,9-11H,1-6,8H2,(H,21,22)/t11-/m0/s1
InChIKeyKWTKVGCYYBSPLV-NSHDSACASA-N
XLogP1.97
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

5-[[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 154788648
2-chloro-4-[[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 136583262
2-[[4-[(1S,2R)-2-[(2R)-2-methylazetidine-1-carbonyl]cyclopropyl]triazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid
CID 167980470
[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 120949851
2-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 66378766
[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-(4-hydroxyisoquinolin-3-yl)methanone
CID 154740888
(2-cyclopropyl-1H-pyrrol-3-yl)-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 120965728
(2R)-1-[2-(4-cyclopropyltriazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119371665
1-[[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methyl]-N-cyclopentyltriazole-4-carboxamide
CID 171144200
N-benzyl-1-[[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]triazole-4-carboxamide
CID 171144048
[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 120949803
(2S)-N-[(2-amino-2-adamantyl)methyl]-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidine-1-carboxamide
CID 128835493

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-4-carboxylic acid (CID 138004066) is 2-[[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(CN2CCC[C@H]2Cn2cc(C3CC3)nn2)n1.
What is the InChIKey of 2-[[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is KWTKVGCYYBSPLV-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N5O2S/c21-15(22)13-9-23-14(16-13)8-19-5-1-2-11(19)6-20-7-12(17-18-20)10-3-4-10/h7,9-11H,1-6,8H2,(H,21,22)/t11-/m0/s1.
What are the key properties of 2-[[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 333.42 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 138004066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).