4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine

C9H13ClN2OS — CID 130727351

IUPAC4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine
SMILESCc1csc(CNC2COCC2Cl)n1
InChIInChI=1S/C9H13ClN2OS/c1-6-5-14-9(12-6)2-11-8-4-13-3-7(8)10/h5,7-8,11H,2-4H2,1H3
InChIKeySVGRRTAEMPWLNY-UHFFFAOYSA-N
MW232.74 g/mol
LogP1.55
Rot. Bonds3

About 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine

4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine (PubChem CID 130727351) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine
PubChem CID130727351
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine
SMILESCc1csc(CNC2COCC2Cl)n1
InChIInChI=1S/C9H13ClN2OS/c1-6-5-14-9(12-6)2-11-8-4-13-3-7(8)10/h5,7-8,11H,2-4H2,1H3
InChIKeySVGRRTAEMPWLNY-UHFFFAOYSA-N
XLogP1.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Methyl-1,3-thiazol-2-yl)morpholine
CID 75355395
N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]oxolan-3-amine
CID 115689461
2-Methoxy-N-((4-methylthiazol-2-yl)methyl)ethanamine
CID 4777652
(R)-4-(4-methylthiazol-2-yl)oxazolidine
CID 57513083
4-(4-Methyl-1,3-thiazol-2-yl)-1,3-oxazolidine
CID 67507508
2-Methoxyethyl-[(4-methyl-1,3-thiazol-2-yl)methyl]azanium
CID 7175900
4-[[4-(Chloromethyl)-1,3-thiazol-2-yl]methyl]-3-methylmorpholine
CID 43542464
4-[[4-(Chloromethyl)-1,3-thiazol-2-yl]methyl]-3-ethylmorpholine
CID 43613564
N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 46785240
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 54990189
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-(2-methoxyethyl)butan-2-amine
CID 55000232
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 55003017

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine?
The IUPAC name of 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine (CID 130727351) is 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine?
The canonical SMILES for 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine is Cc1csc(CNC2COCC2Cl)n1.
What is the InChIKey of 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine?
The InChIKey is SVGRRTAEMPWLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c1-6-5-14-9(12-6)2-11-8-4-13-3-7(8)10/h5,7-8,11H,2-4H2,1H3.
What are the key properties of 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine?
4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine has a molecular weight of 232.74 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 130727351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).