N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine

C11H13ClN2S2 — CID 43528491

IUPACN-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine
SMILESCN(Cc1ccsc1)Cc1nc(CCl)cs1
InChIInChI=1S/C11H13ClN2S2/c1-14(5-9-2-3-15-7-9)6-11-13-10(4-12)8-16-11/h2-3,7-8H,4-6H2,1H3
InChIKeyBHBXABBADVVBGQ-UHFFFAOYSA-N
MW272.83 g/mol
LogP3.58
Rot. Bonds5

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

N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine (PubChem CID 43528491) has the molecular formula C11H13ClN2S2 and a molecular weight of 272.83 g/mol. Its IUPAC name is N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine
PubChem CID43528491
Molecular FormulaC11H13ClN2S2
Molecular Weight272.83 g/mol
Exact Mass272.02
IUPAC NameN-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine
SMILESCN(Cc1ccsc1)Cc1nc(CCl)cs1
InChIInChI=1S/C11H13ClN2S2/c1-14(5-9-2-3-15-7-9)6-11-13-10(4-12)8-16-11/h2-3,7-8H,4-6H2,1H3
InChIKeyBHBXABBADVVBGQ-UHFFFAOYSA-N
XLogP3.58
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.83
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine (CID 43528491) is N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine is CN(Cc1ccsc1)Cc1nc(CCl)cs1.
What is the InChIKey of N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine?
The InChIKey is BHBXABBADVVBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S2/c1-14(5-9-2-3-15-7-9)6-11-13-10(4-12)8-16-11/h2-3,7-8H,4-6H2,1H3.
What are the key properties of N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine?
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine has a molecular weight of 272.83 g/mol, XLogP of 3.58, 5 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-thiophen-3-ylmethanamine is sourced from PubChem (CID 43528491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).