4-chloro-5-(chloromethyl)-N-methyl-N-(oxan-4-yl)-1,3-thiazol-2-amine

C10H14Cl2N2OS — CID 80687484

IUPAC4-chloro-5-(chloromethyl)-N-methyl-N-(oxan-4-yl)-1,3-thiazol-2-amine
SMILESCN(c1nc(Cl)c(CCl)s1)C1CCOCC1
InChIInChI=1S/C10H14Cl2N2OS/c1-14(7-2-4-15-5-3-7)10-13-9(12)8(6-11)16-10/h7H,2-6H2,1H3
InChIKeyDRYXABMPLHINTM-UHFFFAOYSA-N
MW281.21 g/mol
LogP3.15
Rot. Bonds3

About 4-chloro-5-(chloromethyl)-N-methyl-N-(oxan-4-yl)-1,3-thiazol-2-amine

4-chloro-5-(chloromethyl)-N-methyl-N-(oxan-4-yl)-1,3-thiazol-2-amine (PubChem CID 80687484) has the molecular formula C10H14Cl2N2OS and a molecular weight of 281.21 g/mol. Its IUPAC name is 4-chloro-5-(chloromethyl)-N-methyl-N-(oxan-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-5-(chloromethyl)-N-methyl-N-(oxan-4-yl)-1,3-thiazol-2-amine
PubChem CID80687484
Molecular FormulaC10H14Cl2N2OS
Molecular Weight281.21 g/mol
Exact Mass280.02
IUPAC Name4-chloro-5-(chloromethyl)-N-methyl-N-(oxan-4-yl)-1,3-thiazol-2-amine
SMILESCN(c1nc(Cl)c(CCl)s1)C1CCOCC1
InChIInChI=1S/C10H14Cl2N2OS/c1-14(7-2-4-15-5-3-7)10-13-9(12)8(6-11)16-10/h7H,2-6H2,1H3
InChIKeyDRYXABMPLHINTM-UHFFFAOYSA-N
XLogP3.15
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.21
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-5-(chloromethyl)-N-methyl-N-(oxan-4-yl)-1,3-thiazol-2-amine 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

4-chloro-5-(chloromethyl)-N-(4,4-dimethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine
CID 80687320
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-4-yl)-1,3-thiazol-2-amine
CID 62769039
4-chloro-5-(chloromethyl)-N-(cyclopentylmethyl)-N-methyl-1,3-thiazol-2-amine
CID 80688509
4-chloro-5-(chloromethyl)-N-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 80687857
2-N-[4-chloro-5-(chloromethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189856
N-butyl-4-chloro-5-(chloromethyl)-N-cyclopropyl-1,3-thiazol-2-amine
CID 80687396
5-(aminomethyl)-N,4-dimethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82753856
5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-(oxan-4-yl)-1,3-thiazol-2-amine
CID 107509875
5-(aminomethyl)-4-ethyl-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82754917
4-methyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 62764084
4-chloro-5-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine
CID 80688224
[2-[methyl(oxan-4-yl)amino]-1,3-thiazol-5-yl]methanol
CID 62752479

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(chloromethyl)-N-methyl-N-(oxan-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-5-(chloromethyl)-N-methyl-N-(oxan-4-yl)-1,3-thiazol-2-amine (CID 80687484) is 4-chloro-5-(chloromethyl)-N-methyl-N-(oxan-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-5-(chloromethyl)-N-methyl-N-(oxan-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-5-(chloromethyl)-N-methyl-N-(oxan-4-yl)-1,3-thiazol-2-amine is CN(c1nc(Cl)c(CCl)s1)C1CCOCC1.
What is the InChIKey of 4-chloro-5-(chloromethyl)-N-methyl-N-(oxan-4-yl)-1,3-thiazol-2-amine?
The InChIKey is DRYXABMPLHINTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2OS/c1-14(7-2-4-15-5-3-7)10-13-9(12)8(6-11)16-10/h7H,2-6H2,1H3.
What are the key properties of 4-chloro-5-(chloromethyl)-N-methyl-N-(oxan-4-yl)-1,3-thiazol-2-amine?
4-chloro-5-(chloromethyl)-N-methyl-N-(oxan-4-yl)-1,3-thiazol-2-amine has a molecular weight of 281.21 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(chloromethyl)-N-methyl-N-(oxan-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 80687484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).