N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine

C10H17ClN2S2 — CID 112663022

IUPACN-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)N(C)Cc1nc(CCl)cs1
InChIInChI=1S/C10H17ClN2S2/c1-8(6-14-3)13(2)5-10-12-9(4-11)7-15-10/h7-8H,4-6H2,1-3H3
InChIKeyZFSNLNCKBAPUIR-UHFFFAOYSA-N
MW264.85 g/mol
LogP3.07
Rot. Bonds6

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

N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine (PubChem CID 112663022) has the molecular formula C10H17ClN2S2 and a molecular weight of 264.85 g/mol. Its IUPAC name is N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine
PubChem CID112663022
Molecular FormulaC10H17ClN2S2
Molecular Weight264.85 g/mol
Exact Mass264.05
IUPAC NameN-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)N(C)Cc1nc(CCl)cs1
InChIInChI=1S/C10H17ClN2S2/c1-8(6-14-3)13(2)5-10-12-9(4-11)7-15-10/h7-8H,4-6H2,1-3H3
InChIKeyZFSNLNCKBAPUIR-UHFFFAOYSA-N
XLogP3.07
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.85
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-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

2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl-methylamino]propan-1-ol
CID 104553242
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methylpropan-2-amine
CID 43138343
N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-1-methylsulfanylpropan-2-amine
CID 112665890
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112663010
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N,3-dimethylbutan-1-amine
CID 61428998
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N,2-dimethylbutan-2-amine
CID 63965544
N-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-methylbutan-2-amine
CID 43273176
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 55008625
1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 79390196
1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 104555115
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 61413078
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 78974466

Frequently Asked Questions

What is the IUPAC name of N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine?
The IUPAC name of N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine (CID 112663022) is N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine?
The canonical SMILES for N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine is CSCC(C)N(C)Cc1nc(CCl)cs1.
What is the InChIKey of N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine?
The InChIKey is ZFSNLNCKBAPUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2S2/c1-8(6-14-3)13(2)5-10-12-9(4-11)7-15-10/h7-8H,4-6H2,1-3H3.
What are the key properties of N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine?
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine has a molecular weight of 264.85 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 112663022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).