2-[(cyclopropylamino)methyl]-1,3-oxazole-4-carboxylic acid;2,4-dichlorobenzenethiol

C14H14Cl2N2O3S — CID 143943589

IUPAC2-[(cyclopropylamino)methyl]-1,3-oxazole-4-carboxylic acid;2,4-dichlorobenzenethiol
SMILESO=C(O)c1coc(CNC2CC2)n1.Sc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H10N2O3.C6H4Cl2S/c11-8(12)6-4-13-7(10-6)3-9-5-1-2-5;7-4-1-2-6(9)5(8)3-4/h4-5,9H,1-3H2,(H,11,12);1-3,9H
InChIKeySNWAVXXUPKPCLJ-UHFFFAOYSA-N
MW361.25 g/mol
LogP3.91
Rot. Bonds4

About 2-[(cyclopropylamino)methyl]-1,3-oxazole-4-carboxylic acid;2,4-dichlorobenzenethiol

2-[(cyclopropylamino)methyl]-1,3-oxazole-4-carboxylic acid;2,4-dichlorobenzenethiol (PubChem CID 143943589) has the molecular formula C14H14Cl2N2O3S and a molecular weight of 361.25 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-1,3-oxazole-4-carboxylic acid;2,4-dichlorobenzenethiol.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-1,3-oxazole-4-carboxylic acid;2,4-dichlorobenzenethiol
PubChem CID143943589
Molecular FormulaC14H14Cl2N2O3S
Molecular Weight361.25 g/mol
Exact Mass360.01
IUPAC Name2-[(cyclopropylamino)methyl]-1,3-oxazole-4-carboxylic acid;2,4-dichlorobenzenethiol
SMILESO=C(O)c1coc(CNC2CC2)n1.Sc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H10N2O3.C6H4Cl2S/c11-8(12)6-4-13-7(10-6)3-9-5-1-2-5;7-4-1-2-6(9)5(8)3-4/h4-5,9H,1-3H2,(H,11,12);1-3,9H
InChIKeySNWAVXXUPKPCLJ-UHFFFAOYSA-N
XLogP3.91
TPSA75.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[(cyclopropylamino)methyl]-1,3-oxazole-4-carboxylic acid;2,4-dichlorobenzenethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(cyclopropylamino)methyl]-1,3-oxazol-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;4-methoxy-2,6-dimethylbenzenethiol
CID 143943446
4-[(2,4-dichlorophenyl)methylamino]cyclohexane-1-carboxamide
CID 43433251
2-(cyclopentylmethyl)-1,3-oxazole-4-carboxylic acid
CID 62234263
2-chloro-4-[(cyclopropylamino)methyl]benzoic acid
CID 117219988
2-[[benzyl-[(2,4-dichlorophenyl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 93157232
2-[[(3-chlorobenzoyl)-cyclopropylamino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 1195797
N-[(6-chloro-1-benzofuran-3-yl)methyl]cyclopropanamine
CID 117177526
2-(oxan-4-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 115082568
2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid
CID 84664586
N-[[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 62341595
2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]acetic acid
CID 102535926
2-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 24712388

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-1,3-oxazole-4-carboxylic acid;2,4-dichlorobenzenethiol?
The IUPAC name of 2-[(cyclopropylamino)methyl]-1,3-oxazole-4-carboxylic acid;2,4-dichlorobenzenethiol (CID 143943589) is 2-[(cyclopropylamino)methyl]-1,3-oxazole-4-carboxylic acid;2,4-dichlorobenzenethiol.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-1,3-oxazole-4-carboxylic acid;2,4-dichlorobenzenethiol?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-1,3-oxazole-4-carboxylic acid;2,4-dichlorobenzenethiol is O=C(O)c1coc(CNC2CC2)n1.Sc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-1,3-oxazole-4-carboxylic acid;2,4-dichlorobenzenethiol?
The InChIKey is SNWAVXXUPKPCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3.C6H4Cl2S/c11-8(12)6-4-13-7(10-6)3-9-5-1-2-5;7-4-1-2-6(9)5(8)3-4/h4-5,9H,1-3H2,(H,11,12);1-3,9H.
What are the key properties of 2-[(cyclopropylamino)methyl]-1,3-oxazole-4-carboxylic acid;2,4-dichlorobenzenethiol?
2-[(cyclopropylamino)methyl]-1,3-oxazole-4-carboxylic acid;2,4-dichlorobenzenethiol has a molecular weight of 361.25 g/mol, XLogP of 3.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-1,3-oxazole-4-carboxylic acid;2,4-dichlorobenzenethiol is sourced from PubChem (CID 143943589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).