2-[[4-[(1S,2R)-2-[(2R)-2-methylazetidine-1-carbonyl]cyclopropyl]triazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid

C15H17N5O3S — CID 167980470

IUPAC2-[[4-[(1S,2R)-2-[(2R)-2-methylazetidine-1-carbonyl]cyclopropyl]triazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid
SMILESC[C@@H]1CCN1C(=O)[C@@H]1C[C@@H]1c1cn(Cc2nc(C(=O)O)cs2)nn1
InChIInChI=1S/C15H17N5O3S/c1-8-2-3-20(8)14(21)10-4-9(10)11-5-19(18-17-11)6-13-16-12(7-24-13)15(22)23/h5,7-10H,2-4,6H2,1H3,(H,22,23)/t8-,9+,10-/m1/s1
InChIKeyROSJGNAEFYSUPK-KXUCPTDWSA-N
MW347.40 g/mol
LogP1.21
Rot. Bonds5

About 2-[[4-[(1S,2R)-2-[(2R)-2-methylazetidine-1-carbonyl]cyclopropyl]triazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid

2-[[4-[(1S,2R)-2-[(2R)-2-methylazetidine-1-carbonyl]cyclopropyl]triazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 167980470) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-[[4-[(1S,2R)-2-[(2R)-2-methylazetidine-1-carbonyl]cyclopropyl]triazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[4-[(1S,2R)-2-[(2R)-2-methylazetidine-1-carbonyl]cyclopropyl]triazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID167980470
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC Name2-[[4-[(1S,2R)-2-[(2R)-2-methylazetidine-1-carbonyl]cyclopropyl]triazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid
SMILESC[C@@H]1CCN1C(=O)[C@@H]1C[C@@H]1c1cn(Cc2nc(C(=O)O)cs2)nn1
InChIInChI=1S/C15H17N5O3S/c1-8-2-3-20(8)14(21)10-4-9(10)11-5-19(18-17-11)6-13-16-12(7-24-13)15(22)23/h5,7-10H,2-4,6H2,1H3,(H,22,23)/t8-,9+,10-/m1/s1
InChIKeyROSJGNAEFYSUPK-KXUCPTDWSA-N
XLogP1.21
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[4-[(1S,2R)-2-[(2R)-2-methylazetidine-1-carbonyl]cyclopropyl]triazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

2-[[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-4-carboxylic acid
CID 138004066
2-[[4-[cyclopropyl-[(2-sulfamoylacetyl)amino]methyl]triazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid
CID 166326013
2-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 154733976
2-[(3-ethylazetidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 79688727
2-[(4-ethoxycarbonylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 84756543
2-[[4-[2-[(3-cyclopropyloxybenzoyl)amino]-2-methylpropyl]triazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid
CID 167773419
cis-(1S,2R)-2-[1-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]triazol-4-yl]cyclopropane-1-carboxylic acid
CID 167945211
1-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanone
CID 82515560
cis-(1R,2S)-2-[1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]triazol-4-yl]cyclopropane-1-carboxylic acid
CID 167874708
2-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 66378766
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 66376624
2-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 146134856

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(1S,2R)-2-[(2R)-2-methylazetidine-1-carbonyl]cyclopropyl]triazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[4-[(1S,2R)-2-[(2R)-2-methylazetidine-1-carbonyl]cyclopropyl]triazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid (CID 167980470) is 2-[[4-[(1S,2R)-2-[(2R)-2-methylazetidine-1-carbonyl]cyclopropyl]triazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[4-[(1S,2R)-2-[(2R)-2-methylazetidine-1-carbonyl]cyclopropyl]triazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[4-[(1S,2R)-2-[(2R)-2-methylazetidine-1-carbonyl]cyclopropyl]triazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid is C[C@@H]1CCN1C(=O)[C@@H]1C[C@@H]1c1cn(Cc2nc(C(=O)O)cs2)nn1.
What is the InChIKey of 2-[[4-[(1S,2R)-2-[(2R)-2-methylazetidine-1-carbonyl]cyclopropyl]triazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is ROSJGNAEFYSUPK-KXUCPTDWSA-N. The full InChI is InChI=1S/C15H17N5O3S/c1-8-2-3-20(8)14(21)10-4-9(10)11-5-19(18-17-11)6-13-16-12(7-24-13)15(22)23/h5,7-10H,2-4,6H2,1H3,(H,22,23)/t8-,9+,10-/m1/s1.
What are the key properties of 2-[[4-[(1S,2R)-2-[(2R)-2-methylazetidine-1-carbonyl]cyclopropyl]triazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[4-[(1S,2R)-2-[(2R)-2-methylazetidine-1-carbonyl]cyclopropyl]triazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 347.40 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(1S,2R)-2-[(2R)-2-methylazetidine-1-carbonyl]cyclopropyl]triazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 167980470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).