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

C10H16Cl2N2S — CID 80687939

IUPAC4-chloro-5-(chloromethyl)-N-methyl-N-pentyl-1,3-thiazol-2-amine
SMILESCCCCCN(C)c1nc(Cl)c(CCl)s1
InChIInChI=1S/C10H16Cl2N2S/c1-3-4-5-6-14(2)10-13-9(12)8(7-11)15-10/h3-7H2,1-2H3
InChIKeyOHJYORWJADILCW-UHFFFAOYSA-N
MW267.22 g/mol
LogP4.16
Rot. Bonds6

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

4-chloro-5-(chloromethyl)-N-methyl-N-pentyl-1,3-thiazol-2-amine (PubChem CID 80687939) has the molecular formula C10H16Cl2N2S and a molecular weight of 267.22 g/mol. Its IUPAC name is 4-chloro-5-(chloromethyl)-N-methyl-N-pentyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-5-(chloromethyl)-N-methyl-N-pentyl-1,3-thiazol-2-amine
PubChem CID80687939
Molecular FormulaC10H16Cl2N2S
Molecular Weight267.22 g/mol
Exact Mass266.04
IUPAC Name4-chloro-5-(chloromethyl)-N-methyl-N-pentyl-1,3-thiazol-2-amine
SMILESCCCCCN(C)c1nc(Cl)c(CCl)s1
InChIInChI=1S/C10H16Cl2N2S/c1-3-4-5-6-14(2)10-13-9(12)8(7-11)15-10/h3-7H2,1-2H3
InChIKeyOHJYORWJADILCW-UHFFFAOYSA-N
XLogP4.16
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(chloromethyl)-N-methyl-N-pentyl-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-5-(chloromethyl)-N-methyl-N-pentyl-1,3-thiazol-2-amine (CID 80687939) is 4-chloro-5-(chloromethyl)-N-methyl-N-pentyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-5-(chloromethyl)-N-methyl-N-pentyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-5-(chloromethyl)-N-methyl-N-pentyl-1,3-thiazol-2-amine is CCCCCN(C)c1nc(Cl)c(CCl)s1.
What is the InChIKey of 4-chloro-5-(chloromethyl)-N-methyl-N-pentyl-1,3-thiazol-2-amine?
The InChIKey is OHJYORWJADILCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2N2S/c1-3-4-5-6-14(2)10-13-9(12)8(7-11)15-10/h3-7H2,1-2H3.
What are the key properties of 4-chloro-5-(chloromethyl)-N-methyl-N-pentyl-1,3-thiazol-2-amine?
4-chloro-5-(chloromethyl)-N-methyl-N-pentyl-1,3-thiazol-2-amine has a molecular weight of 267.22 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(chloromethyl)-N-methyl-N-pentyl-1,3-thiazol-2-amine is sourced from PubChem (CID 80687939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).