4-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine

C10H17ClN2S — CID 43532078

IUPAC4-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine
SMILESCCCN(CCC)c1nc(CCl)cs1
InChIInChI=1S/C10H17ClN2S/c1-3-5-13(6-4-2)10-12-9(7-11)8-14-10/h8H,3-7H2,1-2H3
InChIKeyLJVJNSIHGHXMOA-UHFFFAOYSA-N
MW232.78 g/mol
LogP3.51
Rot. Bonds6

About 4-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine

4-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine (PubChem CID 43532078) has the molecular formula C10H17ClN2S and a molecular weight of 232.78 g/mol. Its IUPAC name is 4-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine
PubChem CID43532078
Molecular FormulaC10H17ClN2S
Molecular Weight232.78 g/mol
Exact Mass232.08
IUPAC Name4-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine
SMILESCCCN(CCC)c1nc(CCl)cs1
InChIInChI=1S/C10H17ClN2S/c1-3-5-13(6-4-2)10-12-9(7-11)8-14-10/h8H,3-7H2,1-2H3
InChIKeyLJVJNSIHGHXMOA-UHFFFAOYSA-N
XLogP3.51
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.78
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine (CID 43532078) is 4-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine is CCCN(CCC)c1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine?
The InChIKey is LJVJNSIHGHXMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2S/c1-3-5-13(6-4-2)10-12-9(7-11)8-14-10/h8H,3-7H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine?
4-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine has a molecular weight of 232.78 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine is sourced from PubChem (CID 43532078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).