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

C10H16Cl2N2S — CID 80688224

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

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

4-chloro-5-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine (PubChem CID 80688224) has the molecular formula C10H16Cl2N2S and a molecular weight of 267.22 g/mol. Its IUPAC name is 4-chloro-5-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-5-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine
PubChem CID80688224
Molecular FormulaC10H16Cl2N2S
Molecular Weight267.22 g/mol
Exact Mass266.04
IUPAC Name4-chloro-5-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine
SMILESCCCN(CCC)c1nc(Cl)c(CCl)s1
InChIInChI=1S/C10H16Cl2N2S/c1-3-5-14(6-4-2)10-13-9(12)8(7-11)15-10/h3-7H2,1-2H3
InChIKeyBKDRBBQVQCGGIJ-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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5-(chloromethyl)-N-methyl-N-pentyl-1,3-thiazol-2-amine
CID 80687939
4-chloro-5-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine
CID 80687134
N-butyl-4-chloro-5-(chloromethyl)-N-cyclopropyl-1,3-thiazol-2-amine
CID 80687396
4-chloro-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-1,3-thiazol-2-amine
CID 107399733
2-N-[4-chloro-5-(chloromethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189856
4-chloro-5-(chloromethyl)-N-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 80687857
4-methyl-5-(methylaminomethyl)-N,N-dipropyl-1,3-thiazol-2-amine
CID 62765690
4-chloro-5-(chloromethyl)-N-(cyclopentylmethyl)-N-methyl-1,3-thiazol-2-amine
CID 80688509
4-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine
CID 43532078
4-chloro-5-(chloromethyl)-N-methyl-N-(oxan-4-yl)-1,3-thiazol-2-amine
CID 80687484
4-chloro-5-(chloromethyl)-N-(4,4-dimethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine
CID 80687320
2-[butyl-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]acetamide
CID 80692698

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-5-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine (CID 80688224) is 4-chloro-5-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-5-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-5-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine is CCCN(CCC)c1nc(Cl)c(CCl)s1.
What is the InChIKey of 4-chloro-5-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine?
The InChIKey is BKDRBBQVQCGGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2N2S/c1-3-5-14(6-4-2)10-13-9(12)8(7-11)15-10/h3-7H2,1-2H3.
What are the key properties of 4-chloro-5-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine?
4-chloro-5-(chloromethyl)-N,N-dipropyl-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,N-dipropyl-1,3-thiazol-2-amine is sourced from PubChem (CID 80688224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).